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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-piperonyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O5S2/c1-11-6-18(21)20-14-8-13(3-5-17(14)26-11)27(22,23)19-9-12-2-4-15-16(7-12)25-10-24-15/h2-5,7-8,11,19H,6,9-10H2,1H3,(H,20,21)