[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O6S/c1-14-3-5-15(6-4-14)24-12-7-17(21)25-13-16(20)18-8-10-19(11-9-18)26(2,22)23/h3-6H,7-13H2,1-2H3