3-[[5-[(4-carboxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[5-[(4-carboxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[5-[(4-carboxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[5-[(4-carboxyanilino)-oxomethyl]-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[5-[(4-carboxyphenyl)carbamoyl]-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[5-[(4-carboxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonylamino]benzoic acid Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18N2O7S/c1-13-5-6-15(20(25)23-17-9-7-14(8-10-17)21(26)27)12-19(13)32(30,31)24-18-4-2-3-16(11-18)22(28)29/h2-12,24H,1H3,(H,23,25)(H,26,27)(H,28,29)