7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(m-tolylmethylsulfonylmethyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(3-methylbenzyl)sulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)CC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4S/c1-18-5-4-6-19(13-18)16-35(33,34)17-25-26(31)29-24-14-21(9-10-23(24)28-25)27(32)30-12-11-20-7-2-3-8-22(20)15-30/h2-10,13-14,25,28H,11-12,15-17H2,1H3,(H,29,31)