methyl 1-[2-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenoxy]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenoxy]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenoxy]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenoxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenoxy]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenoxy]ethyl]isonipecotic acid methyl ester Formula: C28H34Cl2N6O4S MolecularWeight: 621.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)OCCN4CCC(CC4)C(=O)OC)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)OCCN4CCC(CC4)C(=O)OC)Cl)Cl

InChI

InChI=1S/C28H34Cl2N6O4S/c1-28(2,3)19-5-8-24(22(30)15-19)36-27(32-33-34-36)41-17-25(37)31-23-7-6-20(16-21(23)29)40-14-13-35-11-9-18(10-12-35)26(38)39-4/h5-8,15-16,18H,9-14,17H2,1-4H3,(H,31,37)