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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-(4-mesyl-2-nitro-phenyl)piperazine Formula: C19H22FN3O5S MolecularWeight: 423.458483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])F

InChI

InChI=1S/C19H22FN3O5S/c1-28-19-6-3-14(11-16(19)20)13-21-7-9-22(10-8-21)17-5-4-15(29(2,26)27)12-18(17)23(24)25/h3-6,11-12H,7-10,13H2,1-2H3