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

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(3-methylsulfonyloxypropyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(3-methylsulfonyloxypropyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(3-methylsulfonyloxypropyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(3-methylsulfonyloxypropyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(3-methylsulfonyloxypropyl)amino]phenyl]propionic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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