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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(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 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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