methyl 4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: methyl 4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: methyl 4-(hydroxycarbamoyl)-4-[[4-(5-isoquinolylmethoxy)phenyl]sulfonylmethyl]piperidine-1-carboxylate CAS Name: 4-[(hydroxyamino)-oxomethyl]-4-[[4-(5-isoquinolinylmethoxy)phenyl]sulfonylmethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(hydroxycarbamoyl)-4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]piperidine-1-carboxylate Traditional Name: 4-(hydroxycarbamoyl)-4-[[4-(5-isoquinolylmethoxy)phenyl]sulfonylmethyl]piperidine-1-carboxylic acid methyl ester Formula: C25H27N3O7S MolecularWeight: 513.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC4=C3C=CN=C4)C(=O)NO

Isomeric SMILES

COC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC4=C3C=CN=C4)C(=O)NO

InChI

InChI=1S/C25H27N3O7S/c1-34-24(30)28-13-10-25(11-14-28,23(29)27-31)17-36(32,33)21-7-5-20(6-8-21)35-16-19-4-2-3-18-15-26-12-9-22(18)19/h2-9,12,15,31H,10-11,13-14,16-17H2,1H3,(H,27,29)