2-[3-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetic acid CAS Name: 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetic acid Traditional Name: 2-(3-keto-1-mesitylsulfonyl-2,4-dihydroquinoxalin-2-yl)acetic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)O)C

InChI

InChI=1S/C19H20N2O5S/c1-11-8-12(2)18(13(3)9-11)27(25,26)21-15-7-5-4-6-14(15)20-19(24)16(21)10-17(22)23/h4-9,16H,10H2,1-3H3,(H,20,24)(H,22,23)