4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methylisoxazol-3-yl)thiophene-2-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methylisoxazol-3-yl)thiophene-2-carboxamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H17N3O4S2/c1-12-8-17(20-25-12)19-18(22)16-9-15(11-26-16)27(23,24)21-7-6-13-4-2-3-5-14(13)10-21/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,20,22)