6-[(5R)-5-(2-methylphenyl)-1-(phenylsulfonyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5R)-5-(2-methylphenyl)-1-(phenylsulfonyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5R)-1-(benzenesulfonyl)-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5R)-1-(benzenesulfonyl)-5-(2-methylphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5R)-1-(benzenesulfonyl)-5-(2-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5R)-1-besyl-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=C3C=CC=CC3=O)NN2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@H]2CC(=C3C=CC=CC3=O)NN2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-16-9-5-6-12-18(16)21-15-20(19-13-7-8-14-22(19)25)23-24(21)28(26,27)17-10-3-2-4-11-17/h2-14,21,23H,15H2,1H3/t21-/m1/s1