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

Systemtic Name: N,N-diethyl-3-[4-(pyrrolidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(pyrrolidin-1-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(1-pyrrolidinylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(pyrrolidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(pyrrolidinomethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCCC3

InChI

InChI=1S/C17H24N4O3S2/c1-3-20(4-2)26(22,23)15-9-7-8-14(12-15)16-18-21(17(25)24-16)13-19-10-5-6-11-19/h7-9,12H,3-6,10-11,13H2,1-2H3