4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methyl-quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methyl-quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methyl-quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methyl-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methyl-quinoxalin-2-yl]amino]benzoic acid Formula: C22H17ClN4O4S MolecularWeight: 468.91278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O4S/c1-13-2-11-18-19(12-13)26-20(24-16-7-3-14(4-8-16)22(28)29)21(25-18)27-32(30,31)17-9-5-15(23)6-10-17/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)