5-[3-[3-cyano-1-[6-(1-oxidanylhexyl)pyridin-3-yl]pyrrolidin-2-yl]propyl]furan-2-sulfonic acid

Systemtic Name: 5-[3-[3-cyano-1-[6-(1-oxidanylhexyl)pyridin-3-yl]pyrrolidin-2-yl]propyl]furan-2-sulfonic acid Openeye Name: 5-[3-[3-cyano-1-[6-(1-hydroxyhexyl)-3-pyridyl]pyrrolidin-2-yl]propyl]furan-2-sulfonic acid CAS Name: 5-[3-[3-cyano-1-[6-(1-hydroxyhexyl)-3-pyridinyl]-2-pyrrolidinyl]propyl]-2-furansulfonic acid IUPAC Name: 5-[3-[3-cyano-1-[6-(1-hydroxyhexyl)pyridin-3-yl]pyrrolidin-2-yl]propyl]furan-2-sulfonic acid Traditional Name: 5-[3-[3-cyano-1-[6-(1-hydroxyhexyl)-3-pyridyl]pyrrolidin-2-yl]propyl]furan-2-sulfonic acid Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=NC=C(C=C1)N2CCC(C2CCCC3=CC=C(O3)S(=O)(=O)O)C#N)O

Isomeric SMILES

CCCCCC(C1=NC=C(C=C1)N2CCC(C2CCCC3=CC=C(O3)S(=O)(=O)O)C#N)O

InChI

InChI=1S/C23H31N3O5S/c1-2-3-4-8-22(27)20-11-9-18(16-25-20)26-14-13-17(15-24)21(26)7-5-6-19-10-12-23(31-19)32(28,29)30/h9-12,16-17,21-22,27H,2-8,13-14H2,1H3,(H,28,29,30)