[4-chloranyl-2-(phenylmethyl)phenyl] 1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 1-methylsulfonylpiperidine-3-carboxylate Openeye Name: (2-benzyl-4-chloro-phenyl) 1-methylsulfonylpiperidine-3-carboxylate CAS Name: 1-methylsulfonyl-3-piperidinecarboxylic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 1-mesylnipecotic acid (2-benzyl-4-chloro-phenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO4S/c1-27(24,25)22-11-5-8-16(14-22)20(23)26-19-10-9-18(21)13-17(19)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,16H,5,8,11-12,14H2,1H3