2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4S/c27-21(24-22(28)23-17-20-9-5-2-6-10-20)18-25-12-14-26(15-13-25)31(29,30)16-11-19-7-3-1-4-8-19/h1-11,16H,12-15,17-18H2,(H2,23,24,27,28)/p+1/b16-11+