3-[[4-chloranyl-3-[(4-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-chloranyl-3-[(4-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-chloro-3-(p-tolylcarbamoyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-chloro-3-[(4-methylanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-chloro-3-[(4-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-chloro-3-(p-tolylcarbamoyl)phenyl]sulfonylamino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c1-13-5-7-15(8-6-13)23-20(25)18-12-17(9-10-19(18)22)30(28,29)24-16-4-2-3-14(11-16)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)