N,N-diethyl-3-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(1-piperidin-1-iumylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C18H27N4O3S2+ MolecularWeight: 411.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C18H26N4O3S2/c1-3-21(4-2)27(23,24)16-10-8-9-15(13-16)17-19-22(18(26)25-17)14-20-11-6-5-7-12-20/h8-10,13H,3-7,11-12,14H2,1-2H3/p+1