1-[2-[[(1-methylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]methyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[(1-methylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]methyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[benzyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1-methyl-4-imidazolyl)sulfonyl-(phenylmethyl)amino]methyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[benzyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[benzyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]isonipecotic acid Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3N4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H28N4O4S/c1-26-17-23(25-18-26)33(31,32)28(15-19-7-3-2-4-8-19)16-21-9-5-6-10-22(21)27-13-11-20(12-14-27)24(29)30/h2-10,17-18,20H,11-16H2,1H3,(H,29,30)