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

Systemtic Name: 4-[4-[[(4-methylphenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoic acid Openeye Name: 4-[4-[(p-tolylsulfonylamino)-(3-pyridyl)methyl]phenyl]butanoic acid CAS Name: 4-[4-[[(4-methylphenyl)sulfonylamino]-(3-pyridinyl)methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[[(4-methylphenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoic acid Traditional Name: 4-[4-[3-pyridyl-(tosylamino)methyl]phenyl]butyric acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)CCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)CCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C23H24N2O4S/c1-17-7-13-21(14-8-17)30(28,29)25-23(20-5-3-15-24-16-20)19-11-9-18(10-12-19)4-2-6-22(26)27/h3,5,7-16,23,25H,2,4,6H2,1H3,(H,26,27)