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

Systemtic Name: 2,9-dimethyl-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydroazepino[4,3-b]indole Openeye Name: 2,9-dimethyl-6-(p-tolylsulfonyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole CAS Name: 2,9-dimethyl-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydroazepino[4,3-b]indole IUPAC Name: 2,9-dimethyl-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydroazepino[4,3-b]indole Traditional Name: 2,9-dimethyl-6-tosyl-1,3,4,5-tetrahydroazepin[4,3-b]indole Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CN(CCC3)C)C4=C2C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CN(CCC3)C)C4=C2C=CC(=C4)C

InChI

InChI=1S/C21H24N2O2S/c1-15-6-9-17(10-7-15)26(24,25)23-20-5-4-12-22(3)14-19(20)18-13-16(2)8-11-21(18)23/h6-11,13H,4-5,12,14H2,1-3H3