N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C21H25N5O3S/c1-15-19-12-16(14-22-20(19)25(2)24-15)21(27)23-17-8-7-9-18(13-17)30(28,29)26-10-5-3-4-6-11-26/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,27)