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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-mesityl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C19H22N2O3S2/c1-11-7-12(2)19(13(3)8-11)21-26(23,24)15-5-6-17-16(10-15)20-18(22)9-14(4)25-17/h5-8,10,14,21H,9H2,1-4H3,(H,20,22)