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

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methoxy-phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methoxy-phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]-3-methoxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methoxyphenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methoxy-phenyl]propionic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)OC)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)OC)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25N3O7S/c1-30-20-14-16(7-11-21(26)31-2)6-10-19(20)25(12-13-32-33(3,28)29)22(27)24-18-8-4-17(15-23)5-9-18/h4-6,8-10,14H,7,11-13H2,1-3H3,(H,24,27)