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

Systemtic Name: methyl (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-3-4-18-31(28,29)26-17-15-20-11-13-21(14-12-20)23(22-8-7-16-25-19-22)9-5-6-10-24(27)30-2/h7-9,11-14,16,19,26H,3-6,10,15,17-18H2,1-2H3/b23-9+