phenyl 4-[4-fluoranyl-2-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-fluoranyl-2-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-benzyl-4-fluoro-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-fluoro-2-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-benzyl-4-fluorophenyl)piperazine-2-sulfonate Traditional Name: 4-(2-benzyl-4-fluoro-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C23H23FN2O3S MolecularWeight: 426.503723

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H23FN2O3S/c24-20-11-12-22(19(16-20)15-18-7-3-1-4-8-18)26-14-13-25-23(17-26)30(27,28)29-21-9-5-2-6-10-21/h1-12,16,23,25H,13-15,17H2