2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4C

InChI

InChI=1S/C23H27N5O3S2/c1-17-10-11-19(33(30,31)27-12-6-3-7-13-27)14-20(17)25-22(29)15-32-23-26-24-16-28(23)21-9-5-4-8-18(21)2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,25,29)