(4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H23N3O6S/c1-29-21-8-7-19(32(27,28)24-11-13-30-14-12-24)15-20(21)22(26)31-16-17-3-5-18(6-4-17)25-10-2-9-23-25/h2-10,15H,11-14,16H2,1H3