[2-(dimethylamino)-5-nitro-phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(3-fluorophenyl)sulfonylpiperazino]methanone Formula: C19H21FN4O5S MolecularWeight: 436.457243

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O5S/c1-21(2)18-7-6-15(24(26)27)13-17(18)19(25)22-8-10-23(11-9-22)30(28,29)16-5-3-4-14(20)12-16/h3-7,12-13H,8-11H2,1-2H3