phenyl 4-(4-fluoranyl-2-phenyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-fluoranyl-2-phenyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-fluoro-2-phenyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-fluoro-2-phenylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-fluoro-2-phenylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-fluoro-2-phenyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN2O3S/c23-18-11-12-21(20(15-18)17-7-3-1-4-8-17)25-14-13-24-22(16-25)29(26,27)28-19-9-5-2-6-10-19/h1-12,15,22,24H,13-14,16H2