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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c26-22(20-14-23-24(16-20)15-18-5-2-1-3-6-18)30-17-19-7-4-8-21(13-19)31(27,28)25-9-11-29-12-10-25/h1-8,13-14,16H,9-12,15,17H2