[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(2-chlorophenyl)sulfonylpiperazino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C20H18ClN5O5S MolecularWeight: 475.90542

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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=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H18ClN5O5S/c21-16-3-1-2-4-19(16)32(30,31)25-11-9-23(10-12-25)20(27)15-5-6-17(18(13-15)26(28)29)24-8-7-22-14-24/h1-8,13-14H,9-12H2