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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-isopropylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-p-cumenyl-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=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C19H22N2O3S2/c1-12(2)14-4-6-15(7-5-14)21-26(23,24)16-8-9-18-17(11-16)20-19(22)10-13(3)25-18/h4-9,11-13,21H,10H2,1-3H3,(H,20,22)