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

Systemtic Name: 2-[[3-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-[1-(2-naphthylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[1-(2-naphthalenylmethyl)-4-pyrazolyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-[1-(2-naphthylmethyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Formula: C27H21N3O4S MolecularWeight: 483.53834

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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=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=C(C=N3)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H21N3O4S/c31-27(32)25-10-3-4-11-26(25)29-35(33,34)24-9-5-8-22(15-24)23-16-28-30(18-23)17-19-12-13-20-6-1-2-7-21(20)14-19/h1-16,18,29H,17H2,(H,31,32)