1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(4-chlorophenyl)sulfonyl-isonipecotic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClNO4S/c20-16-6-8-17(9-7-16)26(24,25)21-12-10-19(11-13-21,18(22)23)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,23)