ethyl 1-[(4-chlorophenyl)methyl]-4-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-4-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-besyl-1-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClNO4S/c1-2-27-20(24)21(28(25,26)19-6-4-3-5-7-19)12-14-23(15-13-21)16-17-8-10-18(22)11-9-17/h3-11H,2,12-16H2,1H3