1-(2-cyanophenyl)sulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O3S3/c23-14-18-8-4-5-9-19(18)33(29,30)27-12-10-17(11-13-27)20(28)24-21-25-26-22(32-21)31-15-16-6-2-1-3-7-16/h1-9,17H,10-13,15H2,(H,24,25,28)