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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)S(=O)(=O)Cl)C(=O)O

InChI

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