(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O5S/c1-16-20(21(23)26(24-16)18-7-3-2-4-8-18)15-31-22(27)17-6-5-9-19(14-17)32(28,29)25-10-12-30-13-11-25/h2-9,14H,10-13,15H2,1H3