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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 4-phenyl-1-tosyl-isonipecotic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23,24)20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)