methyl 4-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]benzoate CAS Name: 4-methyl-3-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoate Traditional Name: 3-[2-keto-2-(4-mesylpiperazino)ethoxy]-4-methyl-benzoic acid methyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-12-4-5-13(16(20)23-2)10-14(12)24-11-15(19)17-6-8-18(9-7-17)25(3,21)22/h4-5,10H,6-9,11H2,1-3H3