4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazino]-4-keto-butyrate Formula: C16H21N2O7S- MolecularWeight: 385.41214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C16H22N2O7S/c1-24-12-3-4-14(13(11-12)25-2)26(22,23)18-9-7-17(8-10-18)15(19)5-6-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,20,21)/p-1