3-(2-aminocarbonyloxyethylsulfanyl)-N-(4-methylphenyl)sulfonyl-propanenitrilium

Systemtic Name: 3-(2-aminocarbonyloxyethylsulfanyl)-N-(4-methylphenyl)sulfonyl-propanenitrilium Openeye Name: 3-(2-carbamoyloxyethylsulfanyl)-N-(p-tolylsulfonyl)propanenitrilium CAS Name: 3-(2-carbamoyloxyethylthio)-N-(4-methylphenyl)sulfonylpropanenitrilium IUPAC Name: 3-(2-carbamoyloxyethylsulfanyl)-N-(4-methylphenyl)sulfonylpropanenitrilium Traditional Name: 3-(2-carbamoyloxyethylthio)-N-tosyl-propiononitrilium Formula: C13H17N2O4S2+ MolecularWeight: 329.41508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]#CCCSCCOC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]#CCCSCCOC(=O)N

InChI

InChI=1S/C13H16N2O4S2/c1-11-3-5-12(6-4-11)21(17,18)15-7-2-9-20-10-8-19-13(14)16/h3-6H,2,8-10H2,1H3,(H-,14,16)/p+1