3-(6-bromanyl-2,3-dimethoxy-phenyl)carbonyl-5-phenylsulfanyl-7-(phenylsulfonyl)-1,2,4,5-tetrahydroazocino[5,4-b]indol-6-one

Systemtic Name: 3-(6-bromanyl-2,3-dimethoxy-phenyl)carbonyl-5-phenylsulfanyl-7-(phenylsulfonyl)-1,2,4,5-tetrahydroazocino[5,4-b]indol-6-one Openeye Name: 7-(benzenesulfonyl)-3-(6-bromo-2,3-dimethoxy-benzoyl)-5-phenylsulfanyl-1,2,4,5-tetrahydroazocino[5,4-b]indol-6-one CAS Name: 7-(benzenesulfonyl)-3-[(6-bromo-2,3-dimethoxyphenyl)-oxomethyl]-5-(phenylthio)-1,2,4,5-tetrahydroazocino[5,4-b]indol-6-one IUPAC Name: 7-(benzenesulfonyl)-3-(6-bromo-2,3-dimethoxybenzoyl)-5-phenylsulfanyl-1,2,4,5-tetrahydroazocino[5,4-b]indol-6-one Traditional Name: 7-besyl-3-(6-bromo-2,3-dimethoxy-benzoyl)-5-(phenylthio)-1,2,4,5-tetrahydroazocin[5,4-b]indol-6-one Formula: C34H29BrN2O6S2 MolecularWeight: 705.63786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=C(C(=O)C(C2)SC4=CC=CC=C4)N(C5=CC=CC=C35)S(=O)(=O)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=C(C(=O)C(C2)SC4=CC=CC=C4)N(C5=CC=CC=C35)S(=O)(=O)C6=CC=CC=C6)OC

InChI

InChI=1S/C34H29BrN2O6S2/c1-42-28-18-17-26(35)30(33(28)43-2)34(39)36-20-19-25-24-15-9-10-16-27(24)37(45(40,41)23-13-7-4-8-14-23)31(25)32(38)29(21-36)44-22-11-5-3-6-12-22/h3-18,29H,19-21H2,1-2H3