7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzazepine

Systemtic Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzazepine Openeye Name: 7,8-dimethoxy-1-(p-tolylsulfonyl)-5-pyrrolidin-1-yl-2,3-dihydro-1-benzazepine CAS Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-(1-pyrrolidinyl)-2,3-dihydro-1-benzazepine IUPAC Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzazepine Traditional Name: 7,8-dimethoxy-5-pyrrolidino-1-tosyl-2,3-dihydro-1-benzazepine Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC=C(C3=CC(=C(C=C32)OC)OC)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC=C(C3=CC(=C(C=C32)OC)OC)N4CCCC4

InChI

InChI=1S/C23H28N2O4S/c1-17-8-10-18(11-9-17)30(26,27)25-14-6-7-20(24-12-4-5-13-24)19-15-22(28-2)23(29-3)16-21(19)25/h7-11,15-16H,4-6,12-14H2,1-3H3