(4-methylphenyl) 4-(4-methyl-3-oxidanylidene-5-phenyl-pyrazolidin-1-yl)benzenesulfonate

Systemtic Name: (4-methylphenyl) 4-(4-methyl-3-oxidanylidene-5-phenyl-pyrazolidin-1-yl)benzenesulfonate Openeye Name: p-tolyl 4-(4-methyl-3-oxo-5-phenyl-pyrazolidin-1-yl)benzenesulfonate CAS Name: 4-(4-methyl-3-oxo-5-phenyl-1-pyrazolidinyl)benzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(4-methyl-3-oxo-5-phenylpyrazolidin-1-yl)benzenesulfonate Traditional Name: 4-(3-keto-4-methyl-5-phenyl-pyrazolidin-1-yl)benzenesulfonic acid p-tolyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(NC1=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1C(N(NC1=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c1-16-8-12-20(13-9-16)29-30(27,28)21-14-10-19(11-15-21)25-22(17(2)23(26)24-25)18-6-4-3-5-7-18/h3-15,17,22H,1-2H3,(H,24,26)