4-oxidanylidene-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 4-oxidanylidene-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-mesityl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S2/c1-11-8-12(2)18(13(3)9-11)20-25(22,23)14-4-5-16-15(10-14)19-17(21)6-7-24-16/h4-5,8-10,20H,6-7H2,1-3H3,(H,19,21)