2-[1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-methyl-3-oxidanylidene-2H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-methyl-3-oxidanylidene-2H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]acetic acid CAS Name: 2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-keto-4-methyl-2H-quinoxalin-2-yl]acetic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(C(=O)N(C3=CC=CC=C32)C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(C(=O)N(C3=CC=CC=C32)C)CC(=O)O

InChI

InChI=1S/C19H19ClN2O5S/c1-11-9-17(12(2)8-13(11)20)28(26,27)22-15-7-5-4-6-14(15)21(3)19(25)16(22)10-18(23)24/h4-9,16H,10H2,1-3H3,(H,23,24)