2-[[1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]amino]ethanol

Systemtic Name: 2-[[1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]amino]ethanol Openeye Name: 2-[[1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]amino]ethanol CAS Name: 2-[[1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolyl]amino]ethanol IUPAC Name: 2-[[1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]amino]ethanol Traditional Name: 2-[[1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]amino]ethanol Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2NCCO)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2NCCO)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c28-16-11-23-22-24-20-8-4-5-9-21(20)27(22)18-25-12-14-26(15-13-25)31(29,30)17-10-19-6-2-1-3-7-19/h1-10,17,28H,11-16,18H2,(H,23,24)/p+1/b17-10+