3-[4-(4-fluorophenyl)-1-[(3-oxidanylpiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(4-fluorophenyl)-1-[(3-oxidanylpiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(4-fluorophenyl)-1-[(3-hydroxy-1-piperidyl)methyl]-5-thioxo-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[4-(4-fluorophenyl)-1-[(3-hydroxy-1-piperidinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(4-fluorophenyl)-1-[(3-hydroxypiperidin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(4-fluorophenyl)-1-[(3-hydroxypiperidino)methyl]-5-thioxo-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C22H26FN5O3S2 MolecularWeight: 491.601943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)F)CN4CCCC(C4)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)F)CN4CCCC(C4)O

InChI

InChI=1S/C22H26FN5O3S2/c1-25(2)33(30,31)20-7-3-5-16(13-20)21-24-27(15-26-12-4-6-19(29)14-26)22(32)28(21)18-10-8-17(23)9-11-18/h3,5,7-11,13,19,29H,4,6,12,14-15H2,1-2H3