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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O4S/c1-16-20(21(23)26(24-16)18-9-3-2-4-10-18)15-30-22(27)17-8-7-11-19(14-17)31(28,29)25-12-5-6-13-25/h2-4,7-11,14H,5-6,12-13,15H2,1H3