4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-oxidanyl-N-prop-2-ynyl-piperidine-4-carboxamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-oxidanyl-N-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-N-prop-2-ynyl-piperidine-4-carboxamide CAS Name: 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-N-prop-2-ynyl-4-piperidinecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-N-prop-2-ynylpiperidine-4-carboxamide Traditional Name: 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-N-propargyl-isonipecotamide Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C(=O)C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C#CCN(C(=O)C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H22N2O7S/c1-2-13-24(26)21(25)22(9-11-23-12-10-22)32(27,28)18-6-3-16(4-7-18)31-17-5-8-19-20(14-17)30-15-29-19/h1,3-8,14,23,26H,9-13,15H2