(3S)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C18H21N5O3S2/c1-12-15-9-14(10-19-17(15)22(2)21-12)20-18(24)13-5-3-7-23(11-13)28(25,26)16-6-4-8-27-16/h4,6,8-10,13H,3,5,7,11H2,1-2H3,(H,20,24)/t13-/m0/s1