[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15(2)5-8-20(24)27-14-19(23)21-9-11-22(12-10-21)28(25,26)18-7-6-16(3)17(4)13-18/h6-7,13,15H,5,8-12,14H2,1-4H3