2-[4-(4-methylphenyl)sulfonyl-2-oxidanylidene-3H-quinoxalin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-2-oxidanylidene-3H-quinoxalin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-4-(p-tolylsulfonyl)-3H-quinoxalin-1-yl]acetic acid CAS Name: 2-[4-(4-methylphenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid Traditional Name: 2-(2-keto-4-tosyl-3H-quinoxalin-1-yl)acetic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C17H16N2O5S/c1-12-6-8-13(9-7-12)25(23,24)19-10-16(20)18(11-17(21)22)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,21,22)