(E)-N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-2-phenyl-ethenesulfonamide Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S/c27-23(8-10-24-32(28,29)15-9-19-4-2-1-3-5-19)26-13-11-25(12-14-26)17-20-6-7-21-22(16-20)31-18-30-21/h1-7,9,15-16,24H,8,10-14,17-18H2/p+1/b15-9+