(3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C)Cl

InChI

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