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

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C)C

InChI

InChI=1S/C21H27N3O3S2/c1-5-24(6-2)16-7-9-18(14(3)11-16)23-29(26,27)17-8-10-20-19(13-17)22-21(25)12-15(4)28-20/h7-11,13,15,23H,5-6,12H2,1-4H3,(H,22,25)