[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C19H25N3O5S/c1-19(2,3)12-18(24)27-14-17(23)21-8-10-22(11-9-21)28(25,26)16-7-5-4-6-15(16)13-20/h4-7H,8-12,14H2,1-3H3