[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C20H17N7O5S2 MolecularWeight: 499.52288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H17N7O5S2/c28-20(14-4-5-16(17(12-14)27(29)30)25-7-6-21-13-25)24-8-10-26(11-9-24)34(31,32)18-3-1-2-15-19(18)23-33-22-15/h1-7,12-13H,8-11H2