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

Systemtic Name: tert-butyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-N-[3-(2-nitroimidazol-1-yl)propylsulfonyl]carbamate Openeye Name: tert-butyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-N-[3-(2-nitroimidazol-1-yl)propylsulfonyl]carbamate CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-N-[3-(2-nitro-1-imidazolyl)propylsulfonyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-N-[3-(2-nitroimidazol-1-yl)propylsulfonyl]carbamate Traditional Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-N-[3-(2-nitroimidazol-1-yl)propylsulfonyl]carbamic acid tert-butyl ester Formula: C17H25N7O8S MolecularWeight: 487.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN(C(=O)OC(C)(C)C)S(=O)(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN(C(=O)OC(C)(C)C)S(=O)(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H25N7O8S/c1-13-19-12-14(23(26)27)21(13)9-10-22(16(25)32-17(2,3)4)33(30,31)11-5-7-20-8-6-18-15(20)24(28)29/h6,8,12H,5,7,9-11H2,1-4H3