3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-ethoxycarbonyl-1-piperazinyl)-1-propanesulfonic acid IUPAC Name: 3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-carbethoxypiperazino)propane-1-sulfonic acid Formula: C10H20N2O5S MolecularWeight: 280.3412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCS(=O)(=O)O

InChI

InChI=1S/C10H20N2O5S/c1-2-17-10(13)12-7-5-11(6-8-12)4-3-9-18(14,15)16/h2-9H2,1H3,(H,14,15,16)