7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2,5-dimethylbenzyl)sulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-18-7-8-19(2)23(13-18)16-36(34,35)17-26-27(32)30-25-14-21(9-10-24(25)29-26)28(33)31-12-11-20-5-3-4-6-22(20)15-31/h3-10,13-14,26,29H,11-12,15-17H2,1-2H3,(H,30,32)