1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C18H19ClFN3O4S MolecularWeight: 427.877563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN3O4S/c1-13-2-5-16(23(24)25)11-18(13)28(26,27)22-8-6-21(7-9-22)12-14-3-4-15(20)10-17(14)19/h2-5,10-11H,6-9,12H2,1H3