ethyl N-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]carbamic acid ethyl ester Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-2-25-17(22)18-16(21)14-19-9-11-20(12-10-19)26(23,24)13-8-15-6-4-3-5-7-15/h3-8,13H,2,9-12,14H2,1H3,(H,18,21,22)/p+1/b13-8+