(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H23ClN2O6S/c1-23(2)31(26,27)15-5-6-18(24-7-3-4-8-24)16(11-15)21(25)28-12-14-9-17(22)20-19(10-14)29-13-30-20/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3