N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c26-22(23-19-6-7-20-21(16-19)30-14-13-29-20)17-24-9-11-25(12-10-24)31(27,28)15-8-18-4-2-1-3-5-18/h1-8,15-16H,9-14,17H2,(H,23,26)/p+1/b15-8+