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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-methylthiazol-2-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(4-methyl-2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-methylthiazol-2-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC(=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC(=CS4)C

InChI

InChI=1S/C21H21N3O3S2/c1-14-7-9-18(10-8-14)29(26,27)24-12-17-6-4-3-5-16(17)11-19(24)20(25)23-21-22-15(2)13-28-21/h3-10,13,19H,11-12H2,1-2H3,(H,22,23,25)