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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O5S2/c1-10-6-17(20)18-13-8-12(3-5-16(13)25-10)26(21,22)19-11-2-4-14-15(7-11)24-9-23-14/h2-5,7-8,10,19H,6,9H2,1H3,(H,18,20)