(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-1-(phenylsulfonyl)piperazine

Systemtic Name: (2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-1-(phenylsulfonyl)piperazine Openeye Name: (2S)-1-(benzenesulfonyl)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazine CAS Name: (2S)-1-(benzenesulfonyl)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazine IUPAC Name: (2S)-1-(benzenesulfonyl)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazine Traditional Name: (2S)-1-besyl-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazine Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F

InChI

InChI=1S/C18H20FN3O4S/c1-13-10-18(16(19)11-17(13)22(23)24)20-8-9-21(14(2)12-20)27(25,26)15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12H2,1-2H3/t14-/m0/s1