N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(2-naphthylsulfonylamino)propanamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-3-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(2-naphthylsulfonylamino)propionamide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H21N5O3S/c1-14-19-12-17(13-22-21(19)26(2)25-14)24-20(27)9-10-23-30(28,29)18-8-7-15-5-3-4-6-16(15)11-18/h3-8,11-13,23H,9-10H2,1-2H3,(H,24,27)