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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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