3,6,6-trimethyl-1-(4-methylphenyl)sulfonyl-5,7-dihydroindazol-4-one

Systemtic Name: 3,6,6-trimethyl-1-(4-methylphenyl)sulfonyl-5,7-dihydroindazol-4-one Openeye Name: 3,6,6-trimethyl-1-(p-tolylsulfonyl)-5,7-dihydroindazol-4-one CAS Name: 3,6,6-trimethyl-1-(4-methylphenyl)sulfonyl-5,7-dihydroindazol-4-one IUPAC Name: 3,6,6-trimethyl-1-(4-methylphenyl)sulfonyl-5,7-dihydroindazol-4-one Traditional Name: 3,6,6-trimethyl-1-tosyl-5,7-dihydroindazol-4-one Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=N2)C)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=N2)C)C(=O)CC(C3)(C)C

InChI

InChI=1S/C17H20N2O3S/c1-11-5-7-13(8-6-11)23(21,22)19-14-9-17(3,4)10-15(20)16(14)12(2)18-19/h5-8H,9-10H2,1-4H3