[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzenesulfonate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzenesulfonate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C33H28N4O5S MolecularWeight: 592.66422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C33H28N4O5S/c1-22-29(32(38)36(34-22)25-12-6-3-7-13-25)31(30-23(2)35-37(33(30)39)26-14-8-4-9-15-26)24-18-20-27(21-19-24)42-43(40,41)28-16-10-5-11-17-28/h3-21,31,34-35H,1-2H3