1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H19ClFN3O5S MolecularWeight: 443.876963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClFN3O5S/c1-28-18-5-4-15(11-17(18)23(24)25)29(26,27)22-8-6-21(7-9-22)12-13-2-3-14(20)10-16(13)19/h2-5,10-11H,6-9,12H2,1H3