4-(4-chloranylsulfonylnaphthalen-1-yl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-(4-chloranylsulfonylnaphthalen-1-yl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 4-(4-chlorosulfonyl-1-naphthyl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 4-(4-chlorosulfonyl-1-naphthalenyl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-(4-chlorosulfonylnaphthalen-1-yl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 4-(4-chlorosulfonyl-1-naphthyl)-3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid Formula: C22H17ClN2O6S MolecularWeight: 472.89818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=NNC(=C2C3=CC=C(C4=CC=CC=C43)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=NNC(=C2C3=CC=C(C4=CC=CC=C43)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C22H17ClN2O6S/c1-30-15-8-5-9-16(31-2)19(15)20-18(21(22(26)27)25-24-20)14-10-11-17(32(23,28)29)13-7-4-3-6-12(13)14/h3-11H,1-2H3,(H,24,25)(H,26,27)