4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C27H23N5O5S MolecularWeight: 529.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O5S/c1-18-24-25(23(27(33)34)16-29-26(24)32(30-18)19-7-4-3-5-8-19)31(20-9-6-14-28-15-20)17-38(35,36)22-12-10-21(37-2)11-13-22/h3-16H,17H2,1-2H3,(H,33,34)