(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H18ClNO6S MolecularWeight: 423.86732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H18ClNO6S/c20-16-8-13(9-17-18(16)27-12-26-17)11-25-19(22)14-4-3-5-15(10-14)28(23,24)21-6-1-2-7-21/h3-5,8-10H,1-2,6-7,11-12H2