4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]-1-methylsulfonyl-N-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]-1-methylsulfonyl-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 4-[[4-(5-isoquinolylmethoxy)phenyl]sulfonylmethyl]-1-methylsulfonyl-piperidine-4-carbohydroxamic acid CAS Name: N-hydroxy-4-[[4-(5-isoquinolinylmethoxy)phenyl]sulfonylmethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-hydroxy-4-[[4-(isoquinolin-5-ylmethoxy)phenyl]sulfonylmethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 4-[[4-(5-isoquinolylmethoxy)phenyl]sulfonylmethyl]-1-mesyl-piperidine-4-carbohydroxamic acid Formula: C24H27N3O7S2 MolecularWeight: 533.61708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O7S2/c1-35(30,31)27-13-10-24(11-14-27,23(28)26-29)17-36(32,33)21-7-5-20(6-8-21)34-16-19-4-2-3-18-15-25-12-9-22(18)19/h2-9,12,15,29H,10-11,13-14,16-17H2,1H3,(H,26,28)