(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C19H18BrNO6S MolecularWeight: 468.31832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H18BrNO6S/c20-16-10-18-17(26-12-27-18)9-14(16)11-25-19(22)13-3-5-15(6-4-13)28(23,24)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11-12H2