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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(p-tolylsulfonyl)-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-tosyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NN4C=NN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NN4C=NN=C4

InChI

InChI=1S/C19H19N5O3S/c1-14-6-8-17(9-7-14)28(26,27)24-11-16-5-3-2-4-15(16)10-18(24)19(25)22-23-12-20-21-13-23/h2-9,12-13,18H,10-11H2,1H3,(H,22,25)