4-[3-[methylsulfonyl-[(E)-4-oxidanylnon-2-enyl]amino]propyl]benzoic acid

Systemtic Name: 4-[3-[methylsulfonyl-[(E)-4-oxidanylnon-2-enyl]amino]propyl]benzoic acid Openeye Name: 4-[3-[[(E)-4-hydroxynon-2-enyl]-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 4-[3-[[(E)-4-hydroxynon-2-enyl]-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 4-[3-[[(E)-4-hydroxynon-2-enyl]-methylsulfonylamino]propyl]benzoic acid Traditional Name: 4-[3-[[(E)-4-hydroxynon-2-enyl]-mesyl-amino]propyl]benzoic acid Formula: C20H31NO5S MolecularWeight: 397.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCN(CCCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(/C=C/CN(CCCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H31NO5S/c1-3-4-5-9-19(22)10-7-16-21(27(2,25)26)15-6-8-17-11-13-18(14-12-17)20(23)24/h7,10-14,19,22H,3-6,8-9,15-16H2,1-2H3,(H,23,24)/b10-7+