(3-morpholin-4-ylsulfonylphenyl)methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c25-21(18-14-22-24(15-18)19-6-2-1-3-7-19)29-16-17-5-4-8-20(13-17)30(26,27)23-9-11-28-12-10-23/h1-8,13-15H,9-12,16H2