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

Systemtic Name: tert-butyl 4-[[4-(chloromethylsulfonyl)-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(chloromethylsulfonyl)-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(chloromethylsulfonyl)-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(chloromethylsulfonyl)-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(chloromethylsulfonyl)-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H28ClN3O5S MolecularWeight: 409.92862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28ClN3O5S/c1-16(2,3)25-15(22)18-6-4-13(5-7-18)10-19-8-9-20(11-14(19)21)26(23,24)12-17/h13H,4-12H2,1-3H3