(4-imidazol-1-yl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C20H19N5O5S MolecularWeight: 441.46036

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c26-20(16-6-7-18(19(14-16)25(27)28)23-9-8-21-15-23)22-10-12-24(13-11-22)31(29,30)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2