tert-butyl 4-[[2-[(2-bromophenyl)methylsulfanyl]phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2-bromophenyl)methylsulfanyl]phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-bromophenyl)methylsulfanyl]anilino]piperidine-1-carboxylate CAS Name: 4-[2-[(2-bromophenyl)methylthio]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-bromophenyl)methylsulfanyl]anilino]piperidine-1-carboxylate Traditional Name: 4-[2-[(2-bromobenzyl)thio]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29BrN2O2S MolecularWeight: 477.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2SCC3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2SCC3=CC=CC=C3Br

InChI

InChI=1S/C23H29BrN2O2S/c1-23(2,3)28-22(27)26-14-12-18(13-15-26)25-20-10-6-7-11-21(20)29-16-17-8-4-5-9-19(17)24/h4-11,18,25H,12-16H2,1-3H3