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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(p-tolylsulfonyl)-N-thiazol-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-thiazol-2-yl-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-14-6-8-17(9-7-14)28(25,26)23-13-16-5-3-2-4-15(16)12-18(23)19(24)22-20-21-10-11-27-20/h2-11,18H,12-13H2,1H3,(H,21,22,24)