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

Systemtic Name: N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2,5-dimethylbenzyl)-4-keto-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)NCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=C(C=CC(=C3)C)C

InChI

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