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

Systemtic Name: 2-[4-(2-azanylethanoyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(2-aminoacetyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(2-amino-1-oxoethyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(2-aminoacetyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-(4-glycylpiperazino)ethanesulfonic acid Formula: C8H17N3O4S MolecularWeight: 251.30328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C(=O)CN

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C(=O)CN

InChI

InChI=1S/C8H17N3O4S/c9-7-8(12)11-3-1-10(2-4-11)5-6-16(13,14)15/h1-7,9H2,(H,13,14,15)