1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonylazepane

Systemtic Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonylazepane Openeye Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonylazepane CAS Name: 1-[4-(1-imidazolyl)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-(4-imidazol-1-yl-3-nitrophenyl)sulfonylazepane Traditional Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonylazepane Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c20-19(21)15-11-13(5-6-14(15)17-10-7-16-12-17)24(22,23)18-8-3-1-2-4-9-18/h5-7,10-12H,1-4,8-9H2