1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-(oxidanylcarbamoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-(oxidanylcarbamoyl)piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-[(hydroxyamino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-(hydroxycarbamoyl)isonipecotic acid Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O7S2/c25-20(23-28)17-11-13(21(26)27)9-10-24(17)33(29,30)15-7-5-14(6-8-15)31-12-19-22-16-3-1-2-4-18(16)32-19/h1-8,13,17,28H,9-12H2,(H,23,25)(H,26,27)