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

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H30N2O6S/c1-18-4-10-22(19(2)16-18)33(29,30)26-14-12-25(13-15-26)23(27)17-32-24(28)11-7-20-5-8-21(31-3)9-6-20/h4-6,8-10,16H,7,11-15,17H2,1-3H3