[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4S/c1-19-24(32(29,30)22-15-9-4-10-16-22)25(27(26-19)21-13-7-3-8-14-21)31-23(28)18-17-20-11-5-2-6-12-20/h2-18H,1H3/b18-17+