1,3-benzodioxol-5-yl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-bromo-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-pyrrolidinosulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16BrNO6S/c19-15-5-4-13(27(22,23)20-7-1-2-8-20)10-14(15)18(21)26-12-3-6-16-17(9-12)25-11-24-16/h3-6,9-10H,1-2,7-8,11H2