4-[2-(4-chlorophenyl)-1-methyl-piperidin-4-yl]-3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 4-[2-(4-chlorophenyl)-1-methyl-piperidin-4-yl]-3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 4-[2-(4-chlorophenyl)-1-methyl-4-piperidyl]-3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 4-[2-(4-chlorophenyl)-1-methyl-4-piperidinyl]-3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 4-[2-(4-chlorophenyl)-1-methylpiperidin-4-yl]-3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 4-[2-(4-chlorophenyl)-1-methyl-4-piperidyl]-3-esyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C24H31ClN2O2S MolecularWeight: 447.03314

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=CC=CC=C2CC1C3CCN(C(C3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=CC=CC=C2CC1C3CCN(C(C3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H31ClN2O2S/c1-3-30(28,29)27-15-13-18-6-4-5-7-20(18)16-24(27)21-12-14-26(2)23(17-21)19-8-10-22(25)11-9-19/h4-11,21,23-24H,3,12-17H2,1-2H3