2408286 -OEChem-05191306252D 76 79 0 1 0 0 0 0 0999 V2000 10.6603 -0.4715 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8877 2.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 1.3649 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.6090 2.2309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 2.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0157 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0102 3.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4279 3.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4170 4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8346 4.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8292 4.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 0.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0413 -0.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 -0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 -0.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0387 0.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 1.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1683 1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3746 2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 3.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -4.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -4.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -4.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -4.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -5.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -4.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0336 4.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4702 5.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0813 5.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7815 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 10 1 0 0 0 0 1 16 1 0 0 0 0 21 2 1 6 0 0 0 2 31 1 0 0 0 0 3 14 2 0 0 0 0 6 24 2 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 22 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 15 27 2 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 31 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 21 50 1 0 0 0 0 22 30 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 29 1 0 0 0 0 23 33 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 34 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 35 1 0 0 0 0 27 58 1 0 0 0 0 28 36 2 0 0 0 0 28 59 1 0 0 0 0 29 57 1 0 0 0 0 30 38 2 0 0 0 0 30 39 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 2 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 M END > 2408286 > 1 > 1120 > 8 > 1 > 11 > AAADcfB7uABAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAABUAAAHgQYQAAADBzh2AYyyYNABAKIAiXSWHLCBBAlAgAaiBnIbMgKZjLAtZ2XMQhkxgHY6ceYyKCOkAAAgAAQAAAgAAEAACAAAAAAAAAAAA== > [(1R)-2-[benzyl(ethyl)amino]-1-methyl-2-oxo-ethyl] 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate > 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methylbenzoic acid [(2R)-1-[ethyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester > [(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl] 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate > [(2R)-1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate > 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-benzoic acid [(1R)-2-[benzyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester > InChI=1S/C31H34N4O6S/c1-6-34(20-24-13-9-7-10-14-24)29(36)23(4)41-31(38)27-19-26(18-17-21(27)2)42(39,40)32-28-22(3)33(5)35(30(28)37)25-15-11-8-12-16-25/h7-19,23,32H,6,20H2,1-5H3/t23-/m1/s1 > OQCSIERDBKUGRH-HSZRJFAPSA-N > 4.7 > 590.219906 > C31H34N4O6S > 590.68986 > CCN(CC1=CC=CC=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C > CCN(CC1=CC=CC=C1)C(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C > 125 > 590.219906 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 12 13 8 12 14 8 15 27 8 15 28 8 16 20 8 16 25 8 19 20 8 19 23 8 21 2 6 23 29 8 25 29 8 27 35 8 28 36 8 30 38 8 30 39 8 35 37 8 36 37 8 38 40 8 39 41 8 40 42 8 41 42 8 8 13 8 8 9 8 9 14 8 $$$$