5-[4-(dipropylsulfamoyl)phenyl]carbonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[4-(dipropylsulfamoyl)phenyl]carbonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[4-(dipropylsulfamoyl)benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[[4-(dipropylsulfamoyl)phenyl]-oxomethyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[4-(dipropylsulfamoyl)benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[4-(dipropylsulfamoyl)benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

InChI

InChI=1S/C22H25NO7S/c1-4-10-23(11-5-2)31(27,28)16-8-6-15(7-9-16)20(24)17-13-19-18(12-14(17)3)29-22(30-19)21(25)26/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,25,26)