[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H25N3O4S/c1-17-14-18(2)26(24-17)21-10-8-19(9-11-21)16-30-23(27)20-6-5-7-22(15-20)31(28,29)25-12-3-4-13-25/h5-11,14-15H,3-4,12-13,16H2,1-2H3