N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(6-fluorothiochroman-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(6-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=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

InChI

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