(4-pyrazol-1-ylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c25-21(28-16-17-4-8-19(9-5-17)24-15-3-12-22-24)18-6-10-20(11-7-18)29(26,27)23-13-1-2-14-23/h3-12,15H,1-2,13-14,16H2