methyl 3-[6-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]pyridin-3-yl]propanoate

Systemtic Name: methyl 3-[6-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]pyridin-3-yl]propanoate Openeye Name: methyl 3-[6-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]-3-pyridyl]propanoate CAS Name: 3-[6-[[[4-cyano-N-(2-methylsulfonyloxyethyl)anilino]-oxomethyl]amino]-3-pyridinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]pyridin-3-yl]propanoate Traditional Name: 3-[6-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]-3-pyridyl]propionic acid methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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