8-benzamido-7-phenylmethoxy-2-(phenylsulfonyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-sulfinic acid

Systemtic Name: 8-benzamido-7-phenylmethoxy-2-(phenylsulfonyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-sulfinic acid Openeye Name: 8-benzamido-2-(benzenesulfonyl)-7-benzyloxy-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-sulfinic acid CAS Name: 8-benzamido-2-(benzenesulfonyl)-7-phenylmethoxy-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-sulfinic acid IUPAC Name: 8-benzamido-2-(benzenesulfonyl)-7-phenylmethoxy-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-sulfinic acid Traditional Name: 8-benzamido-7-benzoxy-2-besyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indole-5-sulfinic acid Formula: C31H29N3O6S2 MolecularWeight: 603.70846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1N(C3=CC(=C(C=C23)NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)S(=O)O)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2C1N(C3=CC(=C(C=C23)NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)S(=O)O)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H29N3O6S2/c35-31(23-12-6-2-7-13-23)32-27-18-25-26-20-33(42(38,39)24-14-8-3-9-15-24)17-16-28(26)34(41(36)37)29(25)19-30(27)40-21-22-10-4-1-5-11-22/h1-15,18-19,26,28H,16-17,20-21H2,(H,32,35)(H,36,37)