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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CCN1)C3=C(N2C)C=CC(=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(CCN1)C3=C(N2C)C=CC(=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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