(4-bromophenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-bromophenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromophenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-bromobenzyl) ester Formula: C18H17BrClNO4S MolecularWeight: 458.75388

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClNO4S/c19-15-6-3-13(4-7-15)12-25-18(22)14-5-8-16(20)17(11-14)26(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2