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

Systemtic Name: N-(3-aminocarbonyl-4-fluoranyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-(3-carbamoyl-4-fluoro-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(3-carbamoyl-4-fluorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(3-carbamoyl-4-fluorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(3-carbamoyl-4-fluoro-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C21H18FN3O4S2 MolecularWeight: 459.513723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC(=C(C=C4)F)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC(=C(C=C4)F)C(=O)N

InChI

InChI=1S/C21H18FN3O4S2/c22-17-6-5-15(11-16(17)20(23)26)24-21(27)19-18(8-10-30-19)31(28,29)25-9-7-13-3-1-2-4-14(13)12-25/h1-6,8,10-11H,7,9,12H2,(H2,23,26)(H,24,27)