4-[[(4-methoxyphenyl)sulfonyl-thiophen-3-yl-methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[[(4-methoxyphenyl)sulfonyl-thiophen-3-yl-methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-thienyl)methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-thiophenyl)methyl]amino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[[(4-methoxyphenyl)sulfonyl-thiophen-3-ylmethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-thienyl)methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)NC(C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)NC(C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C

InChI

InChI=1S/C21H20N4O5S2/c1-12-17-18(16(21(26)27)10-22-19(17)25(2)24-12)23-20(13-8-9-31-11-13)32(28,29)15-6-4-14(30-3)5-7-15/h4-11,20H,1-3H3,(H,22,23)(H,26,27)