3-[[1-(4-methoxyphenyl)sulfonyl-4-phenyl-piperidin-4-yl]carbonylamino]-2-methyl-4-phenyl-butanoic acid

Systemtic Name: 3-[[1-(4-methoxyphenyl)sulfonyl-4-phenyl-piperidin-4-yl]carbonylamino]-2-methyl-4-phenyl-butanoic acid Openeye Name: 3-[[1-(4-methoxyphenyl)sulfonyl-4-phenyl-piperidine-4-carbonyl]amino]-2-methyl-4-phenyl-butanoic acid CAS Name: 3-[[[1-(4-methoxyphenyl)sulfonyl-4-phenyl-4-piperidinyl]-oxomethyl]amino]-2-methyl-4-phenylbutanoic acid IUPAC Name: 3-[[1-(4-methoxyphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl]amino]-2-methyl-4-phenylbutanoic acid Traditional Name: 3-[[1-(4-methoxyphenyl)sulfonyl-4-phenyl-isonipecotoyl]amino]-2-methyl-4-phenyl-butyric acid Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)NC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=CC=C1)NC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H34N2O6S/c1-22(28(33)34)27(21-23-9-5-3-6-10-23)31-29(35)30(24-11-7-4-8-12-24)17-19-32(20-18-30)39(36,37)26-15-13-25(38-2)14-16-26/h3-16,22,27H,17-21H2,1-2H3,(H,31,35)(H,33,34)