cyanomethyl (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate

Systemtic Name: cyanomethyl (E)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enoate Openeye Name: cyanomethyl (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-2-butenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(4-besylpiperazino)-4-keto-but-2-enoic acid cyanomethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/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/h1-7H,9-13H2/b7-6+