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

Systemtic Name: methyl 3-methoxy-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-methoxy-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]benzoate CAS Name: 3-methoxy-4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(4-mesylpiperazino)ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O7S/c1-23-14-10-12(16(20)24-2)4-5-13(14)25-11-15(19)17-6-8-18(9-7-17)26(3,21)22/h4-5,10H,6-9,11H2,1-3H3