5-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide

Systemtic Name: 5-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: 5-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 5-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]-2-methoxy-N-methylbenzenesulfonamide IUPAC Name: 5-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: 5-[(E)-3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide Formula: C23H28N3O6S+ MolecularWeight: 474.54992

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H27N3O6S/c1-24-33(28,29)22-14-17(3-7-20(22)30-2)5-8-23(27)26-11-9-25(10-12-26)15-18-4-6-19-21(13-18)32-16-31-19/h3-8,13-14,24H,9-12,15-16H2,1-2H3/p+1/b8-5+