cyanomethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: cyanomethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: cyanomethyl 4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanoate CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(4-tosylpiperazino)butyric acid cyanomethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC#N

InChI

InChI=1S/C17H21N3O5S/c1-14-2-4-15(5-3-14)26(23,24)20-11-9-19(10-12-20)16(21)6-7-17(22)25-13-8-18/h2-5H,6-7,9-13H2,1H3