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

Systemtic Name: N-[(3-bromanyl-4-methyl-phenyl)methyl]-N-(2-methoxyethyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(3-bromo-4-methyl-phenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(3-bromo-4-methylphenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(3-bromo-4-methyl-benzyl)-4-keto-N-(2-methoxyethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C20H23BrN2O4S2 MolecularWeight: 499.44162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(CCOC)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)CN(CCOC)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Br

InChI

InChI=1S/C20H23BrN2O4S2/c1-14-3-4-15(11-17(14)21)13-23(8-9-27-2)29(25,26)16-5-6-19-18(12-16)22-20(24)7-10-28-19/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)