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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-bromo-4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H15BrN2O3S2 MolecularWeight: 427.3359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Br

InChI

InChI=1S/C16H15BrN2O3S2/c1-10-2-4-13(12(17)8-10)19-24(21,22)11-3-5-15-14(9-11)18-16(20)6-7-23-15/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)