1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-methyl-piperonyl-ammonium Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S/c1-24(16-20-7-8-21-22(15-20)31-18-30-21)17-23(27)25-10-12-26(13-11-25)32(28,29)14-9-19-5-3-2-4-6-19/h2-9,14-15H,10-13,16-18H2,1H3/p+1/b14-9+