4-(4-imidazol-1-yl-3-nitro-phenyl)carbonyl-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-(4-imidazol-1-yl-3-nitro-phenyl)carbonyl-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-(4-imidazol-1-yl-3-nitro-benzoyl)-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-(4-imidazol-1-yl-3-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-(4-imidazol-1-yl-3-nitro-benzoyl)-N,N-dimethyl-piperazine-1-sulfonamide Formula: C16H20N6O5S MolecularWeight: 408.4322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O5S/c1-18(2)28(26,27)21-9-7-19(8-10-21)16(23)13-3-4-14(15(11-13)22(24)25)20-6-5-17-12-20/h3-6,11-12H,7-10H2,1-2H3