methyl 8-[(4-chlorophenyl)sulfonylamino]-5-(2-pyridin-3-ylethyl)octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-5-(2-pyridin-3-ylethyl)octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-5-[2-(3-pyridyl)ethyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-5-[2-(3-pyridinyl)ethyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-5-(2-pyridin-3-ylethyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-5-[2-(3-pyridyl)ethyl]caprylic acid methyl ester Formula: C22H29ClN2O4S MolecularWeight: 452.99466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(CCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCC2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCC(CCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCC2=CN=CC=C2

InChI

InChI=1S/C22H29ClN2O4S/c1-29-22(26)8-2-5-18(9-10-19-7-3-15-24-17-19)6-4-16-25-30(27,28)21-13-11-20(23)12-14-21/h3,7,11-15,17-18,25H,2,4-6,8-10,16H2,1H3