3-phenylpropyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-phenylpropyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 3-phenylpropyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid 3-phenylpropyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO4S/c22-19-8-10-20(11-9-19)28(25,26)23-14-12-18(13-15-23)21(24)27-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2