[4-[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylpiperazin-1-yl]phenyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [4-[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylpiperazin-1-yl]phenyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [4-[4-[3-(2-methylindolin-1-yl)sulfonylbenzoyl]piperazin-1-yl]phenyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [4-[4-[[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-oxomethyl]-1-piperazinyl]phenyl] ester IUPAC Name: [4-[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]piperazin-1-yl]phenyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid [4-[4-[3-(2-methylindolin-1-yl)sulfonylbenzoyl]piperazino]phenyl] ester Formula: C42H40N4O7S2 MolecularWeight: 776.9196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)S(=O)(=O)N7C(CC8=CC=CC=C87)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)S(=O)(=O)N7C(CC8=CC=CC=C87)C

InChI

InChI=1S/C42H40N4O7S2/c1-29-25-31-9-3-5-15-39(31)45(29)54(49,50)37-13-7-11-33(27-37)41(47)44-23-21-43(22-24-44)35-17-19-36(20-18-35)53-42(48)34-12-8-14-38(28-34)55(51,52)46-30(2)26-32-10-4-6-16-40(32)46/h3-20,27-30H,21-26H2,1-2H3