1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole-7-carboxylate

Systemtic Name: 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole-7-carboxylate Openeye Name: 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole-7-carboxylate CAS Name: 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-7-benzo[g]indazolecarboxylate IUPAC Name: 1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole-7-carboxylate Traditional Name: 1-(4-mesylphenyl)-3-(trifluoromethyl)benz[g]indazole-7-carboxylate Formula: C20H12F3N2O4S- MolecularWeight: 433.38049

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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)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)F

InChI

InChI=1S/C20H13F3N2O4S/c1-30(28,29)14-6-4-13(5-7-14)25-17-15-8-3-12(19(26)27)10-11(15)2-9-16(17)18(24-25)20(21,22)23/h2-10H,1H3,(H,26,27)/p-1