methyl (E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Openeye Name: methyl (E)-8-(p-tolylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoate CAS Name: (E)-8-[(4-methylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Traditional Name: (E)-4-[3-(3-pyridyl)propyl]-8-(tosylamino)oct-2-enoic acid methyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)C=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)/C=C/C(=O)OC

InChI

InChI=1S/C24H32N2O4S/c1-20-11-14-23(15-12-20)31(28,29)26-18-4-3-7-21(13-16-24(27)30-2)8-5-9-22-10-6-17-25-19-22/h6,10-17,19,21,26H,3-5,7-9,18H2,1-2H3/b16-13+