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

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-tosyl-1,4-diazepane Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S/c1-13-4-6-14(7-5-13)26(24,25)20-9-3-8-19(10-11-20)16-15(21(22)23)17-12-18(16)2/h4-7,12H,3,8-11H2,1-2H3