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

Systemtic Name: [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(4-fluorophenyl)-4-imidazolyl]-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H20FN5O5S MolecularWeight: 473.477403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O5S/c1-15-2-5-18(27(29)30)12-20(15)33(31,32)25-10-8-24(9-11-25)21(28)19-13-23-14-26(19)17-6-3-16(22)4-7-17/h2-7,12-14H,8-11H2,1H3