1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)piperazine Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoro-2-nitro-phenyl)piperazine CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-fluoro-2-nitro-phenyl)piperazine Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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