72667918 -OEChem-05092401592D 84 90 0 1 0 0 0 0 0999 V2000 10.4898 2.3295 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9144 -2.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 1.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 2.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6807 1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9658 -0.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0775 1.5205 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3866 -0.6061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5789 -1.5362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5775 -0.0183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7685 0.5694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2679 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 -0.9621 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3866 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0775 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9562 0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4020 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3857 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3317 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3373 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9181 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1049 1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9020 3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7830 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9133 -2.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6437 -2.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5469 -2.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 4.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9075 3.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9342 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8049 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7209 4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3197 3.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7264 4.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 -2.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6447 -3.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -3.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 -4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2665 0.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2022 -1.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 -1.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5867 -0.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 -0.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7102 -0.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5223 0.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5641 2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5381 -1.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7108 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 2.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6838 -2.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4406 -2.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0537 -2.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1369 -3.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3933 -3.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9253 4.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6553 2.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -1.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9349 -4.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9731 5.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7031 3.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 5.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -2.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -2.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 -3.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -4.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -3.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -3.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -3.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -2.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -3.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -4.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -5.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -5.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -4.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 16 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 22 2 0 0 0 0 17 19 1 0 0 0 0 18 25 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 29 2 0 0 0 0 21 24 2 0 0 0 0 21 54 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 30 2 0 0 0 0 24 56 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 58 1 0 0 0 0 28 34 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 35 1 0 0 0 0 30 62 1 0 0 0 0 31 35 2 0 0 0 0 31 63 1 0 0 0 0 32 36 1 0 0 0 0 32 64 1 0 0 0 0 33 37 2 0 0 0 0 33 65 1 0 0 0 0 34 38 2 3 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 39 2 0 0 0 0 36 68 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 39 70 1 0 0 0 0 40 42 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 43 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 44 2 0 0 0 0 43 78 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 M END > 72667918 > 1 > 1350 > 5 > 0 > 8 > AAADcfB/uABAAAAAAAAAAAAAAAAAAWLFgAA8YMEAAAAWAFgB9AAAHgQAQAAADKjB3gQ/wfMMEAKoAzV3VHDCgDAxAiAI2Dm4ZJiIYPLA0bGUIAhohwLIyCccicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 16-(benzenesulfonyl)-5-(3,7-dimethylocta-2,6-dienyl)-9-indol-1-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > 16-(benzenesulfonyl)-5-(3,7-dimethylocta-2,6-dienyl)-9-(1-indolyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > 16-(benzenesulfonyl)-5-(3,7-dimethylocta-2,6-dienyl)-9-indol-1-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > 16-(benzenesulfonyl)-5-(3,7-dimethylocta-2,6-dienyl)-9-indol-1-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > 5-(3,7-dimethylocta-2,6-dienyl)-9-indol-1-yl-16-(phenylsulfonyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > 16-besyl-5-(3,7-dimethylocta-2,6-dienyl)-9-indol-1-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-quinone > InChI=1S/C37H38N4O4S/c1-26(2)12-11-13-27(3)20-22-38-25-34(42)40-33(35(38)43)24-37(39-23-21-28-14-7-9-18-31(28)39)30-17-8-10-19-32(30)41(36(37)40)46(44,45)29-15-5-4-6-16-29/h4-10,12,14-21,23,33,36H,11,13,22,24-25H2,1-3H3 > LOVQGPYKHXYQRQ-UHFFFAOYSA-N > 6.4 > 634.26137688 > C37H38N4O4S > 634.8 > CC(=CCCC(=CCN1CC(=O)N2C(C1=O)CC3(C2N(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)N6C=CC7=CC=CC=C76)C)C > CC(=CCCC(=CCN1CC(=O)N2C(C1=O)CC3(C2N(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)N6C=CC7=CC=CC=C76)C)C > 91.3 > 634.26137688 > 0 > 46 > 0 > 3 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 13 12 3 14 15 8 14 18 8 15 22 8 18 25 8 20 23 8 20 29 8 21 24 8 22 27 8 23 24 8 23 30 8 25 27 8 26 32 8 26 33 8 29 31 8 30 35 8 31 35 8 32 36 8 33 37 8 34 38 1 36 39 8 37 39 8 11 7 3 10 8 3 8 20 8 8 21 8 $$$$