[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenyl-pyrazol-4-yl]methyl 3-chloranylbenzoate

Systemtic Name: [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenyl-pyrazol-4-yl]methyl 3-chloranylbenzoate Openeye Name: [1-methyl-3-phenyl-5-(p-tolylsulfonyl)pyrazol-4-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (1-methyl-3-phenyl-5-tosyl-pyrazol-4-yl)methyl ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O4S/c1-17-11-13-21(14-12-17)33(30,31)24-22(16-32-25(29)19-9-6-10-20(26)15-19)23(27-28(24)2)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3