phenacyl 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: phenacyl 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: phenacyl 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid phenacyl ester Formula: C19H18BrNO5S MolecularWeight: 452.31892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO5S/c20-16-9-8-15(12-18(16)27(24,25)21-10-4-5-11-21)19(23)26-13-17(22)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2