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

Systemtic Name: morpholin-4-yl-[3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]methanone Openeye Name: [4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(4-besylpiperazino)-3-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)C(=O)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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