5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole

Systemtic Name: 5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole Openeye Name: 5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole CAS Name: 5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole IUPAC Name: 5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole Traditional Name: 5a-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepin[4,5-b]indole Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2C3=CC=CC=C3N(C2(CC1)S(=O)(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CN1CCC2C3=CC=CC=C3N(C2(CC1)S(=O)(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H26N2O3S/c1-22-14-12-19-18-6-4-5-7-20(18)23(2)21(19,13-15-22)27(24,25)17-10-8-16(26-3)9-11-17/h4-11,19H,12-15H2,1-3H3