(3S)-2-ethylsulfonyl-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[4-(3-fluorophenyl)thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[4-(3-fluorophenyl)-2-thiazolyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[4-(3-fluorophenyl)thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H20FN3O3S2 MolecularWeight: 445.530203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H20FN3O3S2/c1-2-30(27,28)25-12-16-7-4-3-6-14(16)11-19(25)20(26)24-21-23-18(13-29-21)15-8-5-9-17(22)10-15/h3-10,13,19H,2,11-12H2,1H3,(H,23,24,26)/t19-/m0/s1