pyridin-3-ylmethyl 4-(4-fluorophenyl)-1-(phenylmethyl)cyclohex-3-ene-1-sulfonate

Systemtic Name: pyridin-3-ylmethyl 4-(4-fluorophenyl)-1-(phenylmethyl)cyclohex-3-ene-1-sulfonate Openeye Name: 3-pyridylmethyl 1-benzyl-4-(4-fluorophenyl)cyclohex-3-ene-1-sulfonate CAS Name: 4-(4-fluorophenyl)-1-(phenylmethyl)-1-cyclohex-3-enesulfonic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 1-benzyl-4-(4-fluorophenyl)cyclohex-3-ene-1-sulfonate Traditional Name: 1-benzyl-4-(4-fluorophenyl)cyclohex-3-ene-1-sulfonic acid 3-pyridylmethyl ester Formula: C25H24FNO3S MolecularWeight: 437.526363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1C2=CC=C(C=C2)F)(CC3=CC=CC=C3)S(=O)(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CC(CC=C1C2=CC=C(C=C2)F)(CC3=CC=CC=C3)S(=O)(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C25H24FNO3S/c26-24-10-8-22(9-11-24)23-12-14-25(15-13-23,17-20-5-2-1-3-6-20)31(28,29)30-19-21-7-4-16-27-18-21/h1-12,16,18H,13-15,17,19H2