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

Systemtic Name: methyl 3-chloranyl-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-chloro-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-chloro-4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoate Traditional Name: 3-chloro-4-[2-keto-2-(4-mesylpiperazino)ethoxy]benzoic acid methyl ester Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H19ClN2O6S/c1-23-15(20)11-3-4-13(12(16)9-11)24-10-14(19)17-5-7-18(8-6-17)25(2,21)22/h3-4,9H,5-8,10H2,1-2H3