N-methyl-4-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4S/c1-23-22(28)19-7-9-20(10-8-19)24-21(27)17-25-12-14-26(15-13-25)31(29,30)16-11-18-5-3-2-4-6-18/h2-11,16H,12-15,17H2,1H3,(H,23,28)(H,24,27)/p+1/b16-11+