tert-butyl 4-[[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromophenyl)sulfonyl-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(4-brosyl-1,4-diazepane-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32BrN3O5S MolecularWeight: 530.47558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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