[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C17H24N2O7S/c1-12-14(24-2)9-13(10-15(12)25-3)17(21)26-11-16(20)18-5-7-19(8-6-18)27(4,22)23/h9-10H,5-8,11H2,1-4H3