cyanomethyl 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: cyanomethyl 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: cyanomethyl 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butyric acid cyanomethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-14-3-4-15(2)16(13-14)27(24,25)21-10-8-20(9-11-21)17(22)5-6-18(23)26-12-7-19/h3-4,13H,5-6,8-12H2,1-2H3