oxan-4-yl 4-[[4-(4-cyano-2-methyl-phenyl)piperidin-1-yl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: oxan-4-yl 4-[[4-(4-cyano-2-methyl-phenyl)piperidin-1-yl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tetrahydropyran-4-yl 4-[[4-(4-cyano-2-methyl-phenyl)-1-piperidyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[[4-(4-cyano-2-methylphenyl)-1-piperidinyl]sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid 4-oxanyl ester IUPAC Name: oxan-4-yl 4-[[4-(4-cyano-2-methylphenyl)piperidin-1-yl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[[4-(4-cyano-2-methyl-phenyl)piperidino]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tetrahydropyran-4-yl ester Formula: C26H36N4O7S MolecularWeight: 548.65164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OC4CCOCC4)C(=O)NO

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OC4CCOCC4)C(=O)NO

InChI

InChI=1S/C26H36N4O7S/c1-19-16-20(17-27)2-3-23(19)21-4-10-30(11-5-21)38(34,35)18-26(24(31)28-33)8-12-29(13-9-26)25(32)37-22-6-14-36-15-7-22/h2-3,16,21-22,33H,4-15,18H2,1H3,(H,28,31)