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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C17H24N2O7S/c1-4-25-15-11-13(5-6-14(15)24-2)17(21)26-12-16(20)18-7-9-19(10-8-18)27(3,22)23/h5-6,11H,4,7-10,12H2,1-3H3