methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]butanoate

Systemtic Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]butanoate Openeye Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]butanoate CAS Name: 4-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]butyric acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25N3O6S/c1-30-21(26)5-3-4-17-8-12-20(13-9-17)25(14-15-31-32(2,28)29)22(27)24-19-10-6-18(16-23)7-11-19/h6-13H,3-5,14-15H2,1-2H3,(H,24,27)