methyl 8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yl-octanoate

Systemtic Name: methyl 8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yl-octanoate Openeye Name: methyl 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridyl)octanoate CAS Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(4-methoxyphenyl)sulfonylamino]-7-pyridin-3-yloctanoate Traditional Name: 8-[(4-methoxyphenyl)sulfonylamino]-7-(3-pyridyl)caprylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)OC)C2=CN=CC=C2

InChI

InChI=1S/C21H28N2O5S/c1-27-19-10-12-20(13-11-19)29(25,26)23-16-18(17-8-6-14-22-15-17)7-4-3-5-9-21(24)28-2/h6,8,10-15,18,23H,3-5,7,9,16H2,1-2H3