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

Systemtic Name: butyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(4-brosylpiperazine-1-carbonyl)piperidine-1-carboxylic acid butyl ester Formula: C21H30BrN3O5S MolecularWeight: 516.449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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