(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C20H13ClFN3O4S MolecularWeight: 445.851323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=C(C=CC=C4Cl)F)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=C(C=CC=C4Cl)F)N

InChI

InChI=1S/C20H13ClFN3O4S/c21-15-6-3-7-16(22)19(15)20(26)29-18-11-17(23)25(24-18)30(27,28)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,23H2