4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(6-fluorothiochroman-4-yl)amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(6-fluorothiochroman-4-yl)amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H16FN3O4S2 MolecularWeight: 397.444343

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN3O4S2/c1-18-26(23,24)11-3-4-14(15(9-11)20(21)22)19-13-6-7-25-16-5-2-10(17)8-12(13)16/h2-5,8-9,13,18-19H,6-7H2,1H3