2-[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetic acid CAS Name: 2-[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetic acid IUPAC Name: 2-[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetic acid Traditional Name: 2-[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-keto-2,4-dihydroquinoxalin-2-yl]acetic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2[C@H](C(=O)NC3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C18H17ClN2O5S/c1-10-8-16(11(2)7-12(10)19)27(25,26)21-14-6-4-3-5-13(14)20-18(24)15(21)9-17(22)23/h3-8,15H,9H2,1-2H3,(H,20,24)(H,22,23)/t15-/m0/s1