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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H17BrN2O3S2 MolecularWeight: 441.36248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S2/c1-10-7-12(3-5-14(10)18)20-25(22,23)13-4-6-16-15(9-13)19-17(21)8-11(2)24-16/h3-7,9,11,20H,8H2,1-2H3,(H,19,21)