(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H27N3O5S/c1-18-23(19(2)27(25-18)16-20-7-4-3-5-8-20)24(28)32-17-21-9-6-10-22(15-21)33(29,30)26-11-13-31-14-12-26/h3-10,15H,11-14,16-17H2,1-2H3