2-ethylsulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H18FN3O3S2 MolecularWeight: 419.492923

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C19H18FN3O3S2/c1-2-28(25,26)23-11-13-6-4-3-5-12(13)9-16(23)18(24)22-19-21-15-8-7-14(20)10-17(15)27-19/h3-8,10,16H,2,9,11H2,1H3,(H,21,22,24)