methyl 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: methyl 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-(2-naphthalenylsulfonylamino)-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4S/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/h2-3,7,11-13,15-16,18,20-22,29H,4-6,8-10,14,17,19H2,1H3