6-chloranyl-7-methoxy-1-(4-methylsulfonylphenyl)benzo[g]indazole-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-methoxy-1-(4-methylsulfonylphenyl)benzo[g]indazole-3-carboxylic acid Openeye Name: 6-chloro-7-methoxy-1-(4-methylsulfonylphenyl)benzo[g]indazole-3-carboxylic acid CAS Name: 6-chloro-7-methoxy-1-(4-methylsulfonylphenyl)-3-benzo[g]indazolecarboxylic acid IUPAC Name: 6-chloro-7-methoxy-1-(4-methylsulfonylphenyl)benzo[g]indazole-3-carboxylic acid Traditional Name: 6-chloro-1-(4-mesylphenyl)-7-methoxy-benz[g]indazole-3-carboxylic acid Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C3=C(C=C2)C(=NN3C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C3=C(C=C2)C(=NN3C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O5S/c1-28-16-10-9-14-13(17(16)21)7-8-15-18(20(24)25)22-23(19(14)15)11-3-5-12(6-4-11)29(2,26)27/h3-10H,1-2H3,(H,24,25)