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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-methylpyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H19N3O5S/c1-18-11-14(10-17-18)16(20)24-12-13-3-2-4-15(9-13)25(21,22)19-5-7-23-8-6-19/h2-4,9-11H,5-8,12H2,1H3