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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H18ClNO6S/c1-11-4-5-13(27(22,23)20(2)3)8-14(11)18(21)24-9-12-6-15(19)17-16(7-12)25-10-26-17/h4-8H,9-10H2,1-3H3