3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoranyl-4-methyl-phenyl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoranyl-4-methyl-phenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoro-4-methyl-phenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-fluoro-4-methyl-phenyl)thiophene-2-carboxamide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C21H19FN2O3S2/c1-14-6-7-17(12-18(14)22)23-21(25)20-19(9-11-28-20)29(26,27)24-10-8-15-4-2-3-5-16(15)13-24/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,25)