N,N-diethyl-3-[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C18H29N5O3S2+2 MolecularWeight: 427.58456

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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+]3CC[NH+](CC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N5O3S2/c1-4-22(5-2)28(24,25)16-8-6-7-15(13-16)17-19-23(18(27)26-17)14-21-11-9-20(3)10-12-21/h6-8,13H,4-5,9-12,14H2,1-3H3/p+2