N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H27N5O3S/c1-15-14-19(20-16(2)25-26(3)21(20)23-15)22(28)24-17-8-10-18(11-9-17)31(29,30)27-12-6-4-5-7-13-27/h8-11,14H,4-7,12-13H2,1-3H3,(H,24,28)