3,6,6-trimethyl-7-(phenylsulfonyl)-1-pyridin-2-yl-5,7-dihydroindazol-4-one

Systemtic Name: 3,6,6-trimethyl-7-(phenylsulfonyl)-1-pyridin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 7-(benzenesulfonyl)-3,6,6-trimethyl-1-(2-pyridyl)-5,7-dihydroindazol-4-one CAS Name: 7-(benzenesulfonyl)-3,6,6-trimethyl-1-(2-pyridinyl)-5,7-dihydroindazol-4-one IUPAC Name: 7-(benzenesulfonyl)-3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 7-besyl-3,6,6-trimethyl-1-(2-pyridyl)-5,7-dihydroindazol-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2S(=O)(=O)C3=CC=CC=C3)(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2S(=O)(=O)C3=CC=CC=C3)(C)C)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O3S/c1-14-18-16(25)13-21(2,3)20(28(26,27)15-9-5-4-6-10-15)19(18)24(23-14)17-11-7-8-12-22-17/h4-12,20H,13H2,1-3H3