2-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: N-propyl-2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: N-propyl-2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H28N4O4S/c1-2-9-20-18(24)15-21-19(25)16-22-10-12-23(13-11-22)28(26,27)14-8-17-6-4-3-5-7-17/h3-8,14H,2,9-13,15-16H2,1H3,(H,20,24)(H,21,25)/p+1/b14-8+