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

Systemtic Name: methyl 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyano-2-methylanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyano-2-methylphenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)NC(=O)N(CCOS(=O)(=O)C)C2=CC=C(C=C2)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)NC(=O)N(CCOS(=O)(=O)C)C2=CC=C(C=C2)CCC(=O)OC

InChI

InChI=1S/C22H25N3O6S/c1-16-14-18(15-23)6-10-20(16)24-22(27)25(12-13-31-32(3,28)29)19-8-4-17(5-9-19)7-11-21(26)30-2/h4-6,8-10,14H,7,11-13H2,1-3H3,(H,24,27)