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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F)NC1=O

InChI

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