3,6-dimethyl-9-(phenylsulfonyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole

Systemtic Name: 3,6-dimethyl-9-(phenylsulfonyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole Openeye Name: 9-(benzenesulfonyl)-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole CAS Name: 9-(benzenesulfonyl)-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole IUPAC Name: 9-(benzenesulfonyl)-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole Traditional Name: 9-besyl-3,6-dimethyl-1,2,4,5-tetrahydroazepin[4,5-b]indole Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CN1CCC2=C(CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H22N2O2S/c1-21-12-10-17-18-14-16(25(23,24)15-6-4-3-5-7-15)8-9-19(18)22(2)20(17)11-13-21/h3-9,14H,10-13H2,1-2H3