(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H19Cl2NO6S MolecularWeight: 472.33896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H19Cl2NO6S/c21-16-5-4-14(30(25,26)23-6-2-1-3-7-23)10-15(16)20(24)27-11-13-8-17(22)19-18(9-13)28-12-29-19/h4-5,8-10H,1-3,6-7,11-12H2