tert-butyl 4-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-(2-methylsulfonyloxyethyl)-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOS(=O)(=O)C

InChI

InChI=1S/C20H30N4O5S/c1-20(2,3)29-19(25)23-11-7-10-22(12-13-23)18-21-16-8-5-6-9-17(16)24(18)14-15-28-30(4,26)27/h5-6,8-9H,7,10-15H2,1-4H3