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

Systemtic Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: [4-(4-fluorophenyl)sulfonylpiperazino]-[2-(methylamino)-5-nitro-phenyl]methanone Formula: C18H19FN4O5S MolecularWeight: 422.430663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4O5S/c1-20-17-7-4-14(23(25)26)12-16(17)18(24)21-8-10-22(11-9-21)29(27,28)15-5-2-13(19)3-6-15/h2-7,12,20H,8-11H2,1H3