(6E)-6-[1-(4-methylphenyl)sulfonyl-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[1-(4-methylphenyl)sulfonyl-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-phenyl-1-(p-tolylsulfonyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[1-(4-methylphenyl)sulfonyl-5-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[1-(4-methylphenyl)sulfonyl-5-phenylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(5-phenyl-1-tosyl-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=C(C=C1)S(=O)(=O)N2C(CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C/C(=C\3/C=CC=CC3=O)/N2)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-16-11-13-18(14-12-16)28(26,27)24-21(17-7-3-2-4-8-17)15-20(23-24)19-9-5-6-10-22(19)25/h2-14,21,23H,15H2,1H3/b20-19+