(4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C21H20ClN3O4S/c22-19-9-6-17(14-20(19)30(27,28)24-11-1-2-12-24)21(26)29-15-16-4-7-18(8-5-16)25-13-3-10-23-25/h3-10,13-14H,1-2,11-12,15H2