2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-(oxidanylcarbamoyl)benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-(oxidanylcarbamoyl)benzoic acid Openeye Name: 3-(hydroxycarbamoyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(hydroxyamino)-oxomethyl]-2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-(hydroxycarbamoyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-(hydroxycarbamoyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]benzoic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C(C=CC=C3C(=O)O)C(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C(C=CC=C3C(=O)O)C(=O)NO

InChI

InChI=1S/C21H19N3O7S/c1-31-15-7-9-16(10-8-15)32(29,30)24(13-14-4-3-11-22-12-14)19-17(20(25)23-28)5-2-6-18(19)21(26)27/h2-12,28H,13H2,1H3,(H,23,25)(H,26,27)