N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline-2-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline-2-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline-2-carboxamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H22N4O3S/c1-17-6-10-21(11-7-17)33(31,32)29-13-12-18-8-9-20(14-19(18)16-29)27-25(30)24-15-26-22-4-2-3-5-23(22)28-24/h2-11,14-15H,12-13,16H2,1H3,(H,27,30)