2-[4-(2-nitrooxyethyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(2-nitrooxyethyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(2-nitrooxyethyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(2-nitrooxyethyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(2-nitrooxyethyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(2-nitrooxyethyl)piperazino]ethanesulfonic acid Formula: C8H17N3O6S MolecularWeight: 283.30208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO[N+](=O)[O-])CCS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CCO[N+](=O)[O-])CCS(=O)(=O)O

InChI

InChI=1S/C8H17N3O6S/c12-11(13)17-7-5-9-1-3-10(4-2-9)6-8-18(14,15)16/h1-8H2,(H,14,15,16)