3-[[4-chloranyl-3-[(2-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-chloranyl-3-[(2-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-chloro-3-(o-tolylcarbamoyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-chloro-3-[(2-methylanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-chloro-3-[(2-methylphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-chloro-3-(o-tolylcarbamoyl)phenyl]sulfonylamino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

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