N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-2,5-dimethoxy-benzenesulfonamide Formula: C17H18FNO4S2 MolecularWeight: 383.457523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCSC3=C2C=CC=C3F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N[C@H]2CCSC3=C2C=CC=C3F

InChI

InChI=1S/C17H18FNO4S2/c1-22-11-6-7-15(23-2)16(10-11)25(20,21)19-14-8-9-24-17-12(14)4-3-5-13(17)18/h3-7,10,14,19H,8-9H2,1-2H3/t14-/m0/s1