[4-chloranyl-2-(phenylmethyl)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-benzyl-4-chloro-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

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