(3-nitrophenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(3-nitrophenyl)methanone Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O5S/c21-17(14-5-4-6-15(13-14)20(22)23)18-9-11-19(12-10-18)26(24,25)16-7-2-1-3-8-16/h1-8,13H,9-12H2