methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O6S/c1-29-20(25)12-7-16-5-10-19(11-6-16)24(13-14-30-31(2,27)28)21(26)23-18-8-3-17(15-22)4-9-18/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,26)