N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5O3S/c1-16-20-14-19(15-23-21(20)26(2)25-16)24-22(28)18-8-11-27(12-9-18)31(29,30)13-10-17-6-4-3-5-7-17/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,24,28)/b13-10+