3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]thiophene-2-carboxamide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCCC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN2O3S2/c23-19-7-3-4-16(14-19)8-11-24-22(26)21-20(10-13-29-21)30(27,28)25-12-9-17-5-1-2-6-18(17)15-25/h1-7,10,13-14H,8-9,11-12,15H2,(H,24,26)