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

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methyl-phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methyl-phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]-3-methylphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methylphenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methyl-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)CCC(=O)OC)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)OC)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

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