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

Systemtic Name: 2-[1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3-oxidanylidene-4-(phenylmethyl)-2H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[4-benzyl-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-oxo-2H-quinoxalin-2-yl]acetic acid CAS Name: 2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-4-(phenylmethyl)-2H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[4-benzyl-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[4-benzyl-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-keto-2H-quinoxalin-2-yl]acetic acid Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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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)CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H23ClN2O5S/c1-16-13-23(17(2)12-19(16)26)34(32,33)28-21-11-7-6-10-20(21)27(15-18-8-4-3-5-9-18)25(31)22(28)14-24(29)30/h3-13,22H,14-15H2,1-2H3,(H,29,30)