(4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C23H24ClN3O5S/c1-16-13-26(14-17(2)32-16)33(29,30)22-12-19(6-9-21(22)24)23(28)31-15-18-4-7-20(8-5-18)27-11-3-10-25-27/h3-12,16-17H,13-15H2,1-2H3