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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6S/c21-17-9-14(10-18-19(17)28-13-27-18)12-26-20(23)15-5-4-6-16(11-15)29(24,25)22-7-2-1-3-8-22/h4-6,9-11H,1-3,7-8,12-13H2