(3-fluorophenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3-fluorophenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3-fluorophenyl) 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3-fluorophenyl) ester Formula: C20H16FNO4S2 MolecularWeight: 417.473743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OC4=CC(=CC=C4)F

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OC4=CC(=CC=C4)F

InChI

InChI=1S/C20H16FNO4S2/c21-16-7-3-8-17(12-16)26-20(23)18-11-14-5-1-2-6-15(14)13-22(18)28(24,25)19-9-4-10-27-19/h1-10,12,18H,11,13H2