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

Systemtic Name: N-cyclopropyl-2-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4S/c29-23(26-22-9-5-4-8-21(22)24(30)25-20-10-11-20)18-27-13-15-28(16-14-27)33(31,32)17-12-19-6-2-1-3-7-19/h1-9,12,17,20H,10-11,13-16,18H2,(H,25,30)(H,26,29)/p+1/b17-12+