cyanomethyl (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: cyanomethyl (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: cyanomethyl (E)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enoate CAS Name: (E)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(4-tosylpiperazino)but-2-enoic acid cyanomethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/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/h2-7H,9-13H2,1H3/b7-6+