51358972 -OEChem-05052416062D 59 63 0 1 0 0 0 0 0999 V2000 10.2740 3.6128 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 -1.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5081 2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0321 0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.0435 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5298 -0.4565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5298 0.5435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5836 -0.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5836 0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3798 2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9408 -2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2944 -1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 2.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1799 2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -2.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 -3.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 -2.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -3.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4399 -1.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4399 1.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9711 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8346 1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 1.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7988 -0.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5475 -2.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8804 -1.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 2.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8725 -2.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4739 -1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0442 -3.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 -2.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 -4.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6419 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -4.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8819 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 6 18 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 6 0 0 0 11 15 1 6 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 27 2 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 44 1 0 0 0 0 25 31 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 30 2 0 0 0 0 26 47 1 0 0 0 0 27 30 1 0 0 0 0 27 48 1 0 0 0 0 28 32 1 0 0 0 0 28 49 1 0 0 0 0 29 33 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 51358972 > 1 > 1090 > 6 > 0 > 5 > AAADceB6OABEAAAAAAAAAAAAAAAAAWAAAAAwYIEAAAAAAECBQAAAHgYAQAAADS7h2AYyAYIABAKIAqBSAHDCCBAgIAAIiBkIBshIIDKBkRGGIAhmgACIiYe8zeCekAAAAAAAAAAgAAAAAAAAAAAAAAAAAA== > (3R,3aR,9bR)-8-chloro-4-ethoxy-3-phenyl-2-(p-tolylsulfonyl)-1,3,3a,9b-tetrahydrobenzo[e]isoindole-6,9-dione > (3R,3aR,9bR)-8-chloro-4-ethoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e]isoindole-6,9-dione > (3R,3aR,9bR)-8-chloro-4-ethoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e]isoindole-6,9-dione > (3R,3aR,9bR)-8-chloro-4-ethoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e]isoindole-6,9-dione > (3R,3aR,9bR)-8-chloranyl-4-ethoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e]isoindole-6,9-dione > (3R,3aR,9bR)-8-chloro-4-ethoxy-3-phenyl-2-tosyl-1,3,3a,9b-tetrahydrobenz[e]isoindole-6,9-quinone > InChI=1S/C27H24ClNO5S/c1-3-34-23-13-19-22(30)14-21(28)27(31)24(19)20-15-29(26(25(20)23)17-7-5-4-6-8-17)35(32,33)18-11-9-16(2)10-12-18/h4-14,20,25-26H,3,15H2,1-2H3/t20-,25-,26-/m0/s1 > IMFGBVLBRSPBOJ-XZZVZQAVSA-N > 4.1 > 509.1063717 > C27H24ClNO5S > 510.0 > CCOC1=CC2=C(C3C1C(N(C3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)C(=O)C(=CC2=O)Cl > CCOC1=CC2=C([C@H]3[C@@H]1[C@@H](N(C3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)C(=O)C(=CC2=O)Cl > 89.1 > 509.1063717 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 6 11 15 6 15 20 8 15 21 8 19 28 8 19 29 8 20 26 8 21 27 8 26 30 8 27 30 8 28 32 8 29 33 8 32 34 8 33 34 8 9 36 6 $$$$