(3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O5S/c1-16-5-7-18(8-6-16)20-14-21(24-23-20)22(26)30-15-17-3-2-4-19(13-17)31(27,28)25-9-11-29-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,23,24)