N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(8-fluorothiochroman-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(8-fluorothiochroman-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C17H17FN2O4S2 MolecularWeight: 396.456283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O4S2/c1-10-8-12(20(21)22)9-16(11(10)2)26(23,24)19-15-6-7-25-17-13(15)4-3-5-14(17)18/h3-5,8-9,15,19H,6-7H2,1-2H3