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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CC(C)(C)C

InChI

InChI=1S/C19H28N2O5S/c1-15-5-7-16(8-6-15)27(24,25)21-11-9-20(10-12-21)17(22)14-26-18(23)13-19(2,3)4/h5-8H,9-14H2,1-4H3