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

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: (4-besylpiperazino)-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c1-20(2)18-9-8-15(23(25)26)14-17(18)19(24)21-10-12-22(13-11-21)29(27,28)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3