tert-butyl 4-(3-bromophenyl)sulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-bromophenyl)sulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(3-bromophenyl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(3-bromophenyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromophenyl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(3-bromophenyl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22BrNO2S MolecularWeight: 372.32038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrNO2S/c1-16(2,3)20-15(19)18-9-7-13(8-10-18)21-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10H2,1-3H3