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

Systemtic Name: methyl 3-[3-chloranyl-4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[3-chloro-4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6S/c1-30-20(26)10-6-15-5-9-19(18(22)13-15)25(11-12-31-32(2,28)29)21(27)24-17-7-3-16(14-23)4-8-17/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,24,27)