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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CC2C(=O)NC3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CC2C(=O)NC3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

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