4-fluoranyl-2-[[3-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-fluoranyl-2-[[3-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-fluoro-2-[[3-[1-(2-naphthylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-fluoro-2-[[3-[1-(2-naphthalenylmethyl)-4-pyrazolyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-fluoro-2-[[3-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-fluoro-2-[[3-[1-(2-naphthylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Formula: C27H20FN3O4S MolecularWeight: 501.528803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=C(C=N3)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)F)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=C(C=N3)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)F)C(=O)O

InChI

InChI=1S/C27H20FN3O4S/c28-23-10-11-25(27(32)33)26(14-23)30-36(34,35)24-7-3-6-21(13-24)22-15-29-31(17-22)16-18-8-9-19-4-1-2-5-20(19)12-18/h1-15,17,30H,16H2,(H,32,33)