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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)NC1=O

InChI

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