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

Systemtic Name: N-(4-ethanoylphenyl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-acetylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-acetylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-acetylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-acetylphenyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)C)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)C)NC1=O

InChI

InChI=1S/C18H18N2O4S2/c1-11-10-25-17-8-7-15(9-16(17)19-18(11)22)26(23,24)20-14-5-3-13(4-6-14)12(2)21/h3-9,11,20H,10H2,1-2H3,(H,19,22)