1,3-dimethyl-4-propan-2-ylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-4-propan-2-ylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-isopropylsulfanyl-1,3-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-4-(propan-2-ylthio)-N-[2-(4-sulfamoylphenyl)ethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-4-propan-2-ylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-(isopropylthio)-1,3-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H25N5O3S2/c1-12(2)29-18-16(11-23-19-17(18)13(3)24-25(19)4)20(26)22-10-9-14-5-7-15(8-6-14)30(21,27)28/h5-8,11-12H,9-10H2,1-4H3,(H,22,26)(H2,21,27,28)