(3S)-2-ethylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C4C(=C3)C=NN4C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CN=C4C(=C3)C=NN4C(C)C

InChI

InChI=1S/C21H25N5O3S/c1-4-30(28,29)25-13-16-8-6-5-7-15(16)10-19(25)21(27)24-18-9-17-11-23-26(14(2)3)20(17)22-12-18/h5-9,11-12,14,19H,4,10,13H2,1-3H3,(H,24,27)/t19-/m0/s1