2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-benzoic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

InChI

InChI=1S/C15H22N2O6S/c1-2-23-14-4-3-12(11-13(14)15(19)20)24(21,22)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10H2,1H3,(H,19,20)