2-(4-fluorophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-[2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CS4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CS4

InChI

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