3-[bis(fluoranyl)methyl]-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carboxylate

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carboxylate Openeye Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carboxylate CAS Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)-7-benzo[g]indazolecarboxylate IUPAC Name: 3-(difluoromethyl)-1-(4-methylsulfonylphenyl)benzo[g]indazole-7-carboxylate Traditional Name: 3-(difluoromethyl)-1-(4-mesylphenyl)benz[g]indazole-7-carboxylate Formula: C20H13F2N2O4S- MolecularWeight: 415.390026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=CC4=C3C=CC(=C4)C(=O)[O-])C(=N2)C(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=CC4=C3C=CC(=C4)C(=O)[O-])C(=N2)C(F)F

InChI

InChI=1S/C20H14F2N2O4S/c1-29(27,28)14-6-4-13(5-7-14)24-18-15-8-3-12(20(25)26)10-11(15)2-9-16(18)17(23-24)19(21)22/h2-10,19H,1H3,(H,25,26)/p-1