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

Systemtic Name: methyl 3-[4-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]cyclohexyl]propanoate CAS Name: 3-[4-[[[4-cyano-N-(2-methylsulfonyloxyethyl)anilino]-oxomethyl]amino]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]cyclohexyl]propanoate Traditional Name: 3-[4-[[(4-cyanophenyl)-(2-methylsulfonyloxyethyl)carbamoyl]amino]cyclohexyl]propionic acid methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)NC(=O)N(CCOS(=O)(=O)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCC1CCC(CC1)NC(=O)N(CCOS(=O)(=O)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H29N3O6S/c1-29-20(25)12-7-16-3-8-18(9-4-16)23-21(26)24(13-14-30-31(2,27)28)19-10-5-17(15-22)6-11-19/h5-6,10-11,16,18H,3-4,7-9,12-14H2,1-2H3,(H,23,26)