(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H18ClNO6S MolecularWeight: 459.89942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO6S/c1-24(17-5-3-2-4-6-17)31(26,27)18-9-7-16(8-10-18)22(25)28-13-15-11-19(23)21-20(12-15)29-14-30-21/h2-12H,13-14H2,1H3