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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

InChI

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