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

Systemtic Name: N-(5-chloranyl-2-piperidin-1-yl-phenyl)-2-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[5-chloro-2-(1-piperidyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1-piperidinyl)phenyl]-2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(5-chloro-2-piperidin-1-ylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-piperidino-phenyl)-2-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]acetamide Formula: C21H23ClN6O2S MolecularWeight: 458.96432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4

InChI

InChI=1S/C21H23ClN6O2S/c1-30-19-8-4-3-7-18(19)28-21(24-25-26-28)31-14-20(29)23-16-13-15(22)9-10-17(16)27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,29)