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

Systemtic Name: pyrrolidin-2-ylmethyl 4-[[4-(4-cyano-2-methyl-phenyl)piperidin-1-yl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: pyrrolidin-2-ylmethyl 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 2-pyrrolidinylmethyl ester IUPAC Name: pyrrolidin-2-ylmethyl 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 pyrrolidin-2-ylmethyl ester Formula: C26H37N5O6S MolecularWeight: 547.66688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OCC4CCCN4)C(=O)NO

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OCC4CCCN4)C(=O)NO

InChI

InChI=1S/C26H37N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-5,15,21-22,28,34H,2-3,6-14,17-18H2,1H3,(H,29,32)