8-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydrobenzo[e]indole

Systemtic Name: 8-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydrobenzo[e]indole Openeye Name: 8-(azepan-1-yl)-3-(p-tolylsulfonyl)-6,7,8,9-tetrahydrobenzo[e]indole CAS Name: 8-(1-azepanyl)-3-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydrobenzo[e]indole IUPAC Name: 8-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydrobenzo[e]indole Traditional Name: 8-(azepan-1-yl)-3-tosyl-6,7,8,9-tetrahydrobenz[e]indole Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3CC(CC4)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3CC(CC4)N5CCCCCC5

InChI

InChI=1S/C25H30N2O2S/c1-19-6-11-22(12-7-19)30(28,29)27-17-14-23-24-18-21(26-15-4-2-3-5-16-26)10-8-20(24)9-13-25(23)27/h6-7,9,11-14,17,21H,2-5,8,10,15-16,18H2,1H3