5,6-dimethyl-9-(phenylsulfonyl)-2,3,4,5,5a,10b-hexahydro-1H-azepino[4,5-b]indole

Systemtic Name: 5,6-dimethyl-9-(phenylsulfonyl)-2,3,4,5,5a,10b-hexahydro-1H-azepino[4,5-b]indole Openeye Name: 9-(benzenesulfonyl)-5,6-dimethyl-2,3,4,5,5a,10b-hexahydro-1H-azepino[4,5-b]indole CAS Name: 9-(benzenesulfonyl)-5,6-dimethyl-2,3,4,5,5a,10b-hexahydro-1H-azepino[4,5-b]indole IUPAC Name: 9-(benzenesulfonyl)-5,6-dimethyl-2,3,4,5,5a,10b-hexahydro-1H-azepino[4,5-b]indole Traditional Name: 9-besyl-5,6-dimethyl-2,3,4,5,5a,10b-hexahydro-1H-azepin[4,5-b]indole Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC2C1N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1CNCCC2C1N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H24N2O2S/c1-14-13-21-11-10-17-18-12-16(8-9-19(18)22(2)20(14)17)25(23,24)15-6-4-3-5-7-15/h3-9,12,14,17,20-21H,10-11,13H2,1-2H3