pyrrolidin-3-yl 4-[[4-(4-cyano-2-methyl-phenyl)piperidin-1-yl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: pyrrolidin-3-yl 4-[[4-(4-cyano-2-methyl-phenyl)piperidin-1-yl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: pyrrolidin-3-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 3-pyrrolidinyl ester IUPAC Name: pyrrolidin-3-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 pyrrolidin-3-yl ester Formula: C25H35N5O6S MolecularWeight: 533.6403

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)OC4CCNC4)C(=O)NO

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OC4CCNC4)C(=O)NO

InChI

InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)