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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2-methoxy-4-methyl-phenoxy)ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(2-methoxy-4-methyl-phenoxy)acetate CAS Name: 2-(2-methoxy-4-methylphenoxy)acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate Traditional Name: 2-(2-methoxy-4-methyl-phenoxy)acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O7S/c1-13-4-5-14(15(10-13)24-2)25-12-17(21)26-11-16(20)18-6-8-19(9-7-18)27(3,22)23/h4-5,10H,6-9,11-12H2,1-3H3