3-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(2-sulfoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(2-sulfoethyl)piperazino]benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c16-13(17)11-2-1-3-12(10-11)15-6-4-14(5-7-15)8-9-21(18,19)20/h1-3,10H,4-9H2,(H,16,17)(H,18,19,20)