N-(4-bromanyl-2-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H14BrFN2O3S2 MolecularWeight: 445.326363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H14BrFN2O3S2/c1-9-6-16(21)19-14-8-11(3-5-15(14)24-9)25(22,23)20-13-4-2-10(17)7-12(13)18/h2-5,7-9,20H,6H2,1H3,(H,19,21)