1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-fluorobenzyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O5S/c1-27-18-6-5-16(12-17(18)22(23)24)28(25,26)21-9-7-20(8-10-21)13-14-3-2-4-15(19)11-14/h2-6,11-12H,7-10,13H2,1H3