N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-methyl-isoxazole-3-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3O4S/c1-14-12-19(22-27-14)20(24)21-17-6-8-18(9-7-17)28(25,26)23-11-10-15-4-2-3-5-16(15)13-23/h2-9,12H,10-11,13H2,1H3,(H,21,24)