[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-14(2)17-6-5-16(11-15(17)3)26-13-19(23)27-12-18(22)20-7-9-21(10-8-20)28(4,24)25/h5-6,11,14H,7-10,12-13H2,1-4H3