(3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H29N3O5S/c1-21-11-12-26(22(2)17-21)28-27(19-32(30-28)24-8-4-3-5-9-24)29(33)37-20-23-7-6-10-25(18-23)38(34,35)31-13-15-36-16-14-31/h3-12,17-19H,13-16,20H2,1-2H3