N-oxidanyl-4-[4-(phenylsulfinyl)phenyl]sulfonyl-1-prop-2-ynyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-oxidanyl-4-[4-(phenylsulfinyl)phenyl]sulfonyl-1-prop-2-ynyl-piperidin-1-ium-4-carboxamide Openeye Name: 4-[4-(benzenesulfinyl)phenyl]sulfonyl-1-prop-2-ynyl-piperidin-1-ium-4-carbohydroxamic acid CAS Name: 4-[4-(benzenesulfinyl)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynyl-4-piperidin-1-iumcarboxamide IUPAC Name: 4-[4-(benzenesulfinyl)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidin-1-ium-4-carboxamide Traditional Name: 4-[4-(benzenesulfinyl)phenyl]sulfonyl-1-propargyl-piperidin-1-ium-4-carbohydroxamic acid Formula: C21H23N2O5S2+ MolecularWeight: 447.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+]1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

C#CC[NH+]1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)30(27,28)19-10-8-18(9-11-19)29(26)17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)/p+1