2-methyl-4-[(4-methylphenyl)sulfonylamino]-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid

Systemtic Name: 2-methyl-4-[(4-methylphenyl)sulfonylamino]-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Openeye Name: 2-methyl-4-(p-tolylsulfonylamino)-2-[3-(3-pyridylmethyl)phenyl]butanoic acid CAS Name: 2-methyl-4-[(4-methylphenyl)sulfonylamino]-2-[3-(3-pyridinylmethyl)phenyl]butanoic acid IUPAC Name: 2-methyl-4-[(4-methylphenyl)sulfonylamino]-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Traditional Name: 2-methyl-2-[3-(3-pyridylmethyl)phenyl]-4-(tosylamino)butyric acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)(C2=CC=CC(=C2)CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)(C2=CC=CC(=C2)CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-18-8-10-22(11-9-18)31(29,30)26-14-12-24(2,23(27)28)21-7-3-5-19(16-21)15-20-6-4-13-25-17-20/h3-11,13,16-17,26H,12,14-15H2,1-2H3,(H,27,28)