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

Systemtic Name: 2-[(3-methylphenyl)methylsulfonylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-(m-tolylmethylsulfonylmethyl)-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[(3-methylphenyl)methylsulfonylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-methylphenyl)methylsulfonylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 3-keto-2-[(3-methylbenzyl)sulfonylmethyl]-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-18-6-5-9-20(14-18)16-34(32,33)17-24-26(31)29-23-15-21(10-11-22(23)28-24)25(30)27-13-12-19-7-3-2-4-8-19/h2-11,14-15,24,28H,12-13,16-17H2,1H3,(H,27,30)(H,29,31)