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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4)NC1=O

InChI

InChI=1S/C16H14N2O5S2/c19-16-5-6-24-15-4-2-11(8-12(15)17-16)25(20,21)18-10-1-3-13-14(7-10)23-9-22-13/h1-4,7-8,18H,5-6,9H2,(H,17,19)