(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCCC1=CC=C(C=C1)C(=CCCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)NCCC1=CC=C(C=C1)/C(=C\CCCC(=O)O)/C2=CN=CC=C2

InChI

InChI=1S/C23H30N2O4S/c1-2-3-17-30(28,29)25-16-14-19-10-12-20(13-11-19)22(8-4-5-9-23(26)27)21-7-6-15-24-18-21/h6-8,10-13,15,18,25H,2-5,9,14,16-17H2,1H3,(H,26,27)/b22-8+