5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isoxazole-3-carboxamide CAS Name: 5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isoxazole-3-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NOC(=C3)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C17H21N3O4S/c1-3-8-25(22,23)20-7-6-13-4-5-15(10-14(13)11-20)18-17(21)16-9-12(2)24-19-16/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,18,21)