N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H21N5O3S2/c1-12-5-6-13(26(23,24)21-7-3-2-4-8-21)9-14(12)19-15(22)10-25-16-17-11-18-20-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)(H,17,18,20)