N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N5O4S2/c1-31-19-10-9-18(13-20(19)33(29,30)27-11-3-2-4-12-27)25-21(28)17-7-5-16(6-8-17)14-32-22-23-15-24-26-22/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,28)(H,23,24,26)