methyl 4-[[4-[[5-(2-ethanoylsulfanylethanoyl)pyridin-2-yl]sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[[5-(2-ethanoylsulfanylethanoyl)pyridin-2-yl]sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[[5-(2-acetylsulfanylacetyl)-2-pyridyl]sulfamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[5-[2-(acetylthio)-1-oxoethyl]-2-pyridinyl]sulfamoyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[[5-(2-acetylsulfanylacetyl)pyridin-2-yl]sulfamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[[5-[2-(acetylthio)acetyl]-2-pyridyl]sulfamoyl]anilino]-4-keto-butyric acid methyl ester Formula: C20H21N3O7S2 MolecularWeight: 479.52664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C20H21N3O7S2/c1-13(24)31-12-17(25)14-3-8-18(21-11-14)23-32(28,29)16-6-4-15(5-7-16)22-19(26)9-10-20(27)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,26)