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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(3-propoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(3-propoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(3-propoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(3-propoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-(3-propoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-2-13-29-14-5-12-24-22(26)21-15-17-6-3-4-7-18(17)16-25(21)30(27,28)20-10-8-19(23)9-11-20/h3-4,6-11,21H,2,5,12-16H2,1H3,(H,24,26)