tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-piperidine-1-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4-methyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-4-methylpiperidine-1-carboxylate Traditional Name: 4-(4-brosylpiperazine-1-carbonyl)-4-methyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32BrN3O5S MolecularWeight: 530.47558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrN3O5S/c1-21(2,3)31-20(28)25-11-9-22(4,10-12-25)19(27)24-13-15-26(16-14-24)32(29,30)18-7-5-17(23)6-8-18/h5-8H,9-16H2,1-4H3