tert-butyl 4-methylsulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-methylsulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-methylsulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-methylsulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methylsulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-mesyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C11H22N2O4S MolecularWeight: 278.36838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)12-6-5-7-13(9-8-12)18(4,15)16/h5-9H2,1-4H3