(6-bromanyl-2,3-dimethoxy-phenyl)-[(5E)-6-oxidanyl-7-(phenylsulfonyl)-2,4-dihydro-1H-azocino[5,4-b]indol-3-yl]methanone

Systemtic Name: (6-bromanyl-2,3-dimethoxy-phenyl)-[(5E)-6-oxidanyl-7-(phenylsulfonyl)-2,4-dihydro-1H-azocino[5,4-b]indol-3-yl]methanone Openeye Name: [(5E)-7-(benzenesulfonyl)-6-hydroxy-2,4-dihydro-1H-azocino[5,4-b]indol-3-yl]-(6-bromo-2,3-dimethoxy-phenyl)methanone CAS Name: [(5E)-7-(benzenesulfonyl)-6-hydroxy-2,4-dihydro-1H-azocino[5,4-b]indol-3-yl]-(6-bromo-2,3-dimethoxyphenyl)methanone IUPAC Name: [(5E)-7-(benzenesulfonyl)-6-hydroxy-2,4-dihydro-1H-azocino[5,4-b]indol-3-yl]-(6-bromo-2,3-dimethoxyphenyl)methanone Traditional Name: [(5E)-7-besyl-6-hydroxy-2,4-dihydro-1H-azocin[5,4-b]indol-3-yl]-(6-bromo-2,3-dimethoxy-phenyl)methanone Formula: C28H25BrN2O6S MolecularWeight: 597.4769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=C(C(=CC2)O)N(C4=CC=CC=C34)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=C(/C(=C\C2)/O)N(C4=CC=CC=C34)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H25BrN2O6S/c1-36-24-13-12-21(29)25(27(24)37-2)28(33)30-16-14-20-19-10-6-7-11-22(19)31(26(20)23(32)15-17-30)38(34,35)18-8-4-3-5-9-18/h3-13,15,32H,14,16-17H2,1-2H3/b23-15+