1-(2-fluoranyl-5-methyl-4-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-fluoranyl-5-methyl-4-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-tosyl-piperazine Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4S/c1-13-3-5-15(6-4-13)27(25,26)21-9-7-20(8-10-21)18-11-14(2)17(22(23)24)12-16(18)19/h3-6,11-12H,7-10H2,1-2H3