[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N2O7S/c1-3-31-20-6-8-21(9-7-20)32-17-12-24(28)33-18-23(27)25-13-15-26(16-14-25)34(29,30)22-10-4-19(2)5-11-22/h4-11H,3,12-18H2,1-2H3