(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) ethanesulfonate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) ethanesulfonate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) ethanesulfonate CAS Name: ethanesulfonic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)CC

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)CC

InChI

InChI=1S/C21H24N2O4S/c1-3-5-16-19-20(24)22(17-12-8-6-9-13-17)23(18-14-10-7-11-15-18)21(19)27-28(25,26)4-2/h6-15H,3-5,16H2,1-2H3