(2R,3S)-4-ethanoyl-1-[4-(isoquinolin-4-ylmethoxy)phenyl]sulfonyl-3-methyl-N-oxidanyl-piperazine-2-carboxamide

Systemtic Name: (2R,3S)-4-ethanoyl-1-[4-(isoquinolin-4-ylmethoxy)phenyl]sulfonyl-3-methyl-N-oxidanyl-piperazine-2-carboxamide Openeye Name: (2R,3S)-4-acetyl-1-[4-(4-isoquinolylmethoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carbohydroxamic acid CAS Name: (2R,3S)-4-acetyl-N-hydroxy-1-[4-(4-isoquinolinylmethoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxamide IUPAC Name: (2R,3S)-4-acetyl-N-hydroxy-1-[4-(isoquinolin-4-ylmethoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxamide Traditional Name: (2R,3S)-4-acetyl-1-[4-(4-isoquinolylmethoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carbohydroxamic acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CC4=CC=CC=C43)C(=O)NO

Isomeric SMILES

C[C@H]1[C@@H](N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CC4=CC=CC=C43)C(=O)NO

InChI

InChI=1S/C24H26N4O6S/c1-16-23(24(30)26-31)28(12-11-27(16)17(2)29)35(32,33)21-9-7-20(8-10-21)34-15-19-14-25-13-18-5-3-4-6-22(18)19/h3-10,13-14,16,23,31H,11-12,15H2,1-2H3,(H,26,30)/t16-,23+/m0/s1