(4-pyrazol-1-ylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-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)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCOCC4

InChI

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