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

Systemtic Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(4-brosylpiperazine-1-carbonyl)piperidine-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)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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