cyanomethyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: cyanomethyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: cyanomethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid cyanomethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O5S/c17-8-13-24-16(21)7-6-15(20)18-9-11-19(12-10-18)25(22,23)14-4-2-1-3-5-14/h1-5H,6-7,9-13H2