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

Systemtic Name: 5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)isoxazole-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=NOC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14-3-7-19(8-4-14)29(26,27)24-10-9-16-5-6-18(12-17(16)13-24)22-21(25)20-11-15(2)28-23-20/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,25)