methyl (E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoate Openeye Name: methyl (E)-8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoate CAS Name: (E)-8-(2-naphthalenylsulfonylamino)-4-[3-(3-pyridinyl)propyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoate Traditional Name: (E)-8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoic acid methyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CCCC3=CN=CC=C3

Isomeric SMILES

COC(=O)/C=C/C(CCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CCCC3=CN=CC=C3

InChI

InChI=1S/C27H32N2O4S/c1-33-27(30)17-14-22(9-6-10-23-11-7-18-28-21-23)8-4-5-19-29-34(31,32)26-16-15-24-12-2-3-13-25(24)20-26/h2-3,7,11-18,20-22,29H,4-6,8-10,19H2,1H3/b17-14+