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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H20FN3O3S MolecularWeight: 425.475903

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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)NCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20FN3O3S/c23-19-7-9-20(10-8-19)30(28,29)26-15-18-6-2-1-5-17(18)12-21(26)22(27)25-14-16-4-3-11-24-13-16/h1-11,13,21H,12,14-15H2,(H,25,27)