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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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