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

Systemtic Name: 2-methyl-3-[[1-(3-methylphenyl)sulfonyl-4-phenyl-piperidin-4-yl]carbonylamino]-4-phenyl-butanoic acid Openeye Name: 2-methyl-3-[[1-(m-tolylsulfonyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-phenyl-butanoic acid CAS Name: 2-methyl-3-[[[1-(3-methylphenyl)sulfonyl-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-methyl-3-[[1-(3-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl]amino]-4-phenylbutanoic acid Traditional Name: 2-methyl-3-[[1-(m-tolylsulfonyl)-4-phenyl-isonipecotoyl]amino]-4-phenyl-butyric acid Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(C)C(=O)O

InChI

InChI=1S/C30H34N2O5S/c1-22-10-9-15-26(20-22)38(36,37)32-18-16-30(17-19-32,25-13-7-4-8-14-25)29(35)31-27(23(2)28(33)34)21-24-11-5-3-6-12-24/h3-15,20,23,27H,16-19,21H2,1-2H3,(H,31,35)(H,33,34)