2-[(4-methylphenyl)methylsulfonylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylate

Systemtic Name: 2-[(4-methylphenyl)methylsulfonylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylate Openeye Name: 3-oxo-2-(p-tolylmethylsulfonylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxylate CAS Name: 2-[(4-methylphenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate IUPAC Name: 2-[(4-methylphenyl)methylsulfonylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate Traditional Name: 3-keto-2-[(4-methylbenzyl)sulfonylmethyl]-2,4-dihydro-1H-quinoxaline-6-carboxylate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-11-2-4-12(5-3-11)9-26(24,25)10-16-17(21)20-15-8-13(18(22)23)6-7-14(15)19-16/h2-8,16,19H,9-10H2,1H3,(H,20,21)(H,22,23)/p-1