N-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(3,4-difluorophenyl)-2-thiazolyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19F2N3O3S2 MolecularWeight: 463.520666

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H19F2N3O3S2/c1-2-31(28,29)26-11-15-6-4-3-5-13(15)10-19(26)20(27)25-21-24-18(12-30-21)14-7-8-16(22)17(23)9-14/h3-9,12,19H,2,10-11H2,1H3,(H,24,25,27)