1-(4-acetamidophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(4-acetamidophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(4-acetamidophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-(4-acetamidophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-acetamidophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-(4-acetamidophenyl)sulfonyl-4-phenyl-isonipecotic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-15(23)21-17-7-9-18(10-8-17)28(26,27)22-13-11-20(12-14-22,19(24)25)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,23)(H,24,25)