tert-butyl 4-(4-bromophenyl)sulfonyl-2-piperidin-4-ylcarbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-bromophenyl)sulfonyl-2-piperidin-4-ylcarbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromophenyl)sulfonyl-2-(piperidine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-(4-bromophenyl)sulfonyl-2-[oxo(4-piperidinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromophenyl)sulfonyl-2-(piperidine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-brosyl-2-isonipecotoyl-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(CC1C(=O)C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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