ethyl 4-[2-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]ethyl]benzoate

Systemtic Name: ethyl 4-[2-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]ethyl]benzoate Openeye Name: ethyl 4-[2-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]ethyl]benzoic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCN(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCN(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

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