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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=NN3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=NN3C

InChI

InChI=1S/C16H22N6O3S2/c1-12-6-7-13(27(24,25)22-8-4-3-5-9-22)10-14(12)17-15(23)11-26-16-18-19-20-21(16)2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,23)