3-tert-butyl-1-(4-methylphenyl)sulfonyl-8b-oxidanyl-3aH-indeno[1,2-c]pyrazol-4-one

Systemtic Name: 3-tert-butyl-1-(4-methylphenyl)sulfonyl-8b-oxidanyl-3aH-indeno[1,2-c]pyrazol-4-one Openeye Name: 3-tert-butyl-8b-hydroxy-1-(p-tolylsulfonyl)-3aH-indeno[1,2-c]pyrazol-4-one CAS Name: 3-tert-butyl-8b-hydroxy-1-(4-methylphenyl)sulfonyl-3aH-indeno[1,2-c]pyrazol-4-one IUPAC Name: 3-tert-butyl-8b-hydroxy-1-(4-methylphenyl)sulfonyl-3aH-indeno[1,2-c]pyrazol-4-one Traditional Name: 3-tert-butyl-8b-hydroxy-1-tosyl-3aH-indeno[1,2-c]pyrazol-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3(C(C(=O)C4=CC=CC=C43)C(=N2)C(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3(C(C(=O)C4=CC=CC=C43)C(=N2)C(C)(C)C)O

InChI

InChI=1S/C21H22N2O4S/c1-13-9-11-14(12-10-13)28(26,27)23-21(25)16-8-6-5-7-15(16)18(24)17(21)19(22-23)20(2,3)4/h5-12,17,25H,1-4H3