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

Systemtic Name: N,N-diethyl-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-[(4-mesylpiperazino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C18H27N5O5S3 MolecularWeight: 489.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H27N5O5S3/c1-4-21(5-2)31(26,27)16-8-6-7-15(13-16)17-19-23(18(29)28-17)14-20-9-11-22(12-10-20)30(3,24)25/h6-8,13H,4-5,9-12,14H2,1-3H3