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

Systemtic Name: 5a-(3-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole Openeye Name: 5a-(3-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole CAS Name: 5a-(3-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole IUPAC Name: 5a-(3-methoxyphenyl)sulfonyl-3,6-dimethyl-2,4,5,10b-tetrahydro-1H-azepino[4,5-b]indole Traditional Name: 5a-(3-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=CC(=C4)OC)C

Isomeric SMILES

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

InChI

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