1-(5-chloranyl-2-methyl-phenyl)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazine Formula: C17H17ClFN3O4S MolecularWeight: 413.850983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3O4S/c1-12-2-3-13(18)10-16(12)20-6-8-21(9-7-20)27(25,26)14-4-5-15(19)17(11-14)22(23)24/h2-5,10-11H,6-9H2,1H3