1-(3-methyl-5-nitro-imidazol-4-yl)-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-methylsulfonyl-1,4-diazepane CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-mesyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepane Formula: C10H17N5O4S MolecularWeight: 303.33808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H17N5O4S/c1-12-8-11-9(15(16)17)10(12)13-4-3-5-14(7-6-13)20(2,18)19/h8H,3-7H2,1-2H3