1,3-benzodioxol-5-yl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO6S/c19-14-5-3-12(9-17(14)27(22,23)20-7-1-2-8-20)18(21)26-13-4-6-15-16(10-13)25-11-24-15/h3-6,9-10H,1-2,7-8,11H2