tert-butyl 4-[[4-(3-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(3-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-bromophenyl)sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-bromophenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-bromophenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(3-bromophenyl)sulfonyl-2-keto-piperazino]methyl]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)CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

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