3-[[3-[(4-methylphenyl)sulfonylamino]-1,4-dihydroquinoxalin-2-yl]imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1,4-dihydroquinoxalin-2-yl]imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 6-oxo-3-[[3-(p-tolylsulfonylamino)-1,4-dihydroquinoxalin-2-yl]imino]cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1,4-dihydroquinoxalin-2-yl]imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1,4-dihydroquinoxalin-2-yl]imino]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-keto-3-[[3-(tosylamino)-1,4-dihydroquinoxalin-2-yl]imino]cyclohexa-1,4-diene-1-carboxylate Formula: C22H17N4O5S- MolecularWeight: 449.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C3N2)N=C4C=CC(=O)C(=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C3N2)N=C4C=CC(=O)C(=C4)C(=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-13-6-9-15(10-7-13)32(30,31)26-21-20(24-17-4-2-3-5-18(17)25-21)23-14-8-11-19(27)16(12-14)22(28)29/h2-12,24-26H,1H3,(H,28,29)/p-1