3-acetamido-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-N-oxidanyl-propanamide

Systemtic Name: 3-acetamido-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-N-oxidanyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(hydroxyamino)-3-oxo-propyl]acetamide CAS Name: 3-acetamido-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-hydroxypropanamide IUPAC Name: 3-acetamido-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-hydroxypropanamide Traditional Name: N-[3-(hydroxyamino)-3-keto-2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]propyl]acetamide Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNC(=O)C)C(=O)NO)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNC(=O)C)C(=O)NO)C)OC

InChI

InChI=1S/C22H27N3O8S/c1-13-7-17(31-4)8-14(2)21(13)34(29,30)25(18(22(27)24-28)10-23-15(3)26)11-16-5-6-19-20(9-16)33-12-32-19/h5-9,18,28H,10-12H2,1-4H3,(H,23,26)(H,24,27)