methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridyl]amino]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridinyl]amino]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[3-(sulfonylmethyl)pyridin-2-yl]amino]benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[[3-(sulfonylmethyl)-2-pyridyl]amino]benzoyl]amino]butyric acid methyl ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC2=C(C=CC=N2)C=S(=O)=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC2=C(C=CC=N2)C=S(=O)=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5S2/c1-33-25(30)22(12-14-34-2)28-24(29)20-11-10-19(15-21(20)17-7-4-3-5-8-17)27-23-18(16-35(31)32)9-6-13-26-23/h3-11,13,15-16,22H,12,14H2,1-2H3,(H,26,27)(H,28,29)