[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C19H19ClN2O7S MolecularWeight: 454.88136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O7S/c1-11-4-5-13(8-16(11)30(25,26)22(2)3)21-17(23)9-27-19(24)12-6-14(20)18-15(7-12)28-10-29-18/h4-8H,9-10H2,1-3H3,(H,21,23)