N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-piperonylamide Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O6S/c21-15-5-4-13(27(23,24)20-7-1-2-8-20)10-14(15)19-18(22)12-3-6-16-17(9-12)26-11-25-16/h3-6,9-10,21H,1-2,7-8,11H2,(H,19,22)