ethyl 4-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(4-methylsulfonyl-1-piperazinyl)ethylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(4-mesylpiperazino)ethylamino]butyric acid ethyl ester Formula: C13H25N3O5S MolecularWeight: 335.4197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCCN1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NCCN1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C13H25N3O5S/c1-3-21-13(18)5-4-12(17)14-6-7-15-8-10-16(11-9-15)22(2,19)20/h3-11H2,1-2H3,(H,14,17)