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

Systemtic Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-brosylisonipecotoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30BrN3O5S MolecularWeight: 516.449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H30BrN3O5S/c1-21(2,3)30-20(27)24-14-12-23(13-15-24)19(26)16-8-10-25(11-9-16)31(28,29)18-6-4-17(22)5-7-18/h4-7,16H,8-15H2,1-3H3