2-[[3-[(2-chloranyl-4-methyl-phenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(2-chloranyl-4-methyl-phenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(2-chloro-4-methyl-phenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(2-chloro-4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(2-chloro-4-methyl-phenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Cl

InChI

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