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

Systemtic Name: phenyl 4-(4-fluoranyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-fluoro-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-fluoro-2-phenoxysulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-fluoro-2-phenoxysulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-fluoro-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C22H21FN2O6S2 MolecularWeight: 492.540343

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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)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)F)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H21FN2O6S2/c23-17-11-12-20(21(15-17)32(26,27)30-18-7-3-1-4-8-18)25-14-13-24-22(16-25)33(28,29)31-19-9-5-2-6-10-19/h1-12,15,22,24H,13-14,16H2