2-(4-methylphenyl)sulfonyl-N-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1-methylpyrazol-4-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(1-methyl-4-pyrazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1-methylpyrazol-4-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CN(N=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CN(N=C4)C

InChI

InChI=1S/C21H22N4O3S/c1-15-7-9-19(10-8-15)29(27,28)25-13-17-6-4-3-5-16(17)11-20(25)21(26)23-18-12-22-24(2)14-18/h3-10,12,14,20H,11,13H2,1-2H3,(H,23,26)