2-[(1-methyl-4-methylsulfonyl-piperidin-4-yl)carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[(1-methyl-4-methylsulfonyl-piperidin-4-yl)carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[(1-methyl-4-methylsulfonyl-piperidine-4-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[(1-methyl-4-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[(1-methyl-4-methylsulfonylpiperidine-4-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[(4-mesyl-1-methyl-isonipecotoyl)amino]-3-(4-phenylphenyl)propionic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1CCC(CC1)(C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O5S/c1-25-14-12-23(13-15-25,31(2,29)30)22(28)24-20(21(26)27)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,24,28)(H,26,27)