N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-piperidinosulfonylbenzyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H25N5O3S2/c28-21(19-8-4-18(5-9-19)15-31-22-24-16-25-26-22)23-14-17-6-10-20(11-7-17)32(29,30)27-12-2-1-3-13-27/h4-11,16H,1-3,12-15H2,(H,23,28)(H,24,25,26)