tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(1-brosylisonipecotoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31BrN2O5S MolecularWeight: 515.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H31BrN2O5S/c1-22(2,3)30-21(27)24-12-8-16(9-13-24)20(26)17-10-14-25(15-11-17)31(28,29)19-6-4-18(23)5-7-19/h4-7,16-17H,8-15H2,1-3H3