(1,3-diphenylpyrazol-4-yl)methyl 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O5S/c31-28(27-22(16-17-34-27)20-36(32,33)25-14-8-3-9-15-25)35-19-23-18-30(24-12-6-2-7-13-24)29-26(23)21-10-4-1-5-11-21/h1-18H,19-20H2