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

Systemtic Name: 1-[2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]phenoxy]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]phenoxy]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]phenoxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]phenoxy]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]phenoxy]ethyl]isonipecotic acid Formula: C33H36Cl2N6O4S MolecularWeight: 683.64774

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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)C4=CC=C(C=C4)OCCN5CCC(CC5)C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)OCCN5CCC(CC5)C(=O)O)Cl)Cl

InChI

InChI=1S/C33H36Cl2N6O4S/c1-33(2,3)24-7-11-29(27(35)19-24)41-32(37-38-39-41)46-20-30(42)36-28-10-6-23(18-26(28)34)21-4-8-25(9-5-21)45-17-16-40-14-12-22(13-15-40)31(43)44/h4-11,18-19,22H,12-17,20H2,1-3H3,(H,36,42)(H,43,44)