tert-butyl N-(3-chloranylpropylsulfonyl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-(3-chloranylpropylsulfonyl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate Openeye Name: tert-butyl N-(3-chloropropylsulfonyl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate CAS Name: N-(3-chloropropylsulfonyl)-N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-chloropropylsulfonyl)-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate Traditional Name: N-(3-chloropropylsulfonyl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamic acid tert-butyl ester Formula: C14H23ClN4O6S MolecularWeight: 410.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN(C(=O)OC(C)(C)C)S(=O)(=O)CCCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN(C(=O)OC(C)(C)C)S(=O)(=O)CCCCl)[N+](=O)[O-]

InChI

InChI=1S/C14H23ClN4O6S/c1-11-16-10-12(19(21)22)17(11)7-8-18(13(20)25-14(2,3)4)26(23,24)9-5-6-15/h10H,5-9H2,1-4H3