2-(2-methylphenyl)-4-[[phenylsulfonyl(pyridin-3-yl)amino]methyl]benzoic acid

Systemtic Name: 2-(2-methylphenyl)-4-[[phenylsulfonyl(pyridin-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[benzenesulfonyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[benzenesulfonyl(3-pyridinyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[benzenesulfonyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[besyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22N2O4S/c1-19-8-5-6-12-23(19)25-16-20(13-14-24(25)26(29)30)18-28(21-9-7-15-27-17-21)33(31,32)22-10-3-2-4-11-22/h2-17H,18H2,1H3,(H,29,30)