(3-chlorophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-chlorophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-chlorophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-chlorobenzyl) ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4S/c19-16-5-3-4-14(12-16)13-24-18(21)15-6-8-17(9-7-15)25(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2