methyl 3-[4-[(5-cyanopyridin-2-yl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(5-cyanopyridin-2-yl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(5-cyano-2-pyridyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-cyanopyridin-2-yl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(5-cyano-2-pyridyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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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=NC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c1-29-19(25)10-6-15-3-7-17(8-4-15)24(11-12-30-31(2,27)28)20(26)23-18-9-5-16(13-21)14-22-18/h3-5,7-9,14H,6,10-12H2,1-2H3,(H,22,23,26)