4-[[2-chloranyl-5-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-chloranyl-5-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-chloro-5-(p-tolylsulfonylamino)benzoyl]amino]benzoic acid CAS Name: 4-[[[2-chloro-5-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 4-[[2-chloro-5-(tosylamino)benzoyl]amino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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