morpholin-4-yl-[5-nitro-2-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]methanone

Systemtic Name: morpholin-4-yl-[5-nitro-2-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]methanone Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitro-phenyl]-morpholino-methanone CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-5-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [2-(4-besylpiperazino)-5-nitro-phenyl]-morpholino-methanone Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O6S/c26-21(23-12-14-31-15-13-23)19-16-17(25(27)28)6-7-20(19)22-8-10-24(11-9-22)32(29,30)18-4-2-1-3-5-18/h1-7,16H,8-15H2