2-(1,3-benzodioxol-5-yl)-2-[4-(methylsulfonylamino)-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(methylsulfonylamino)-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(methanesulfonamido)-2-propyl-phenoxy]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(methanesulfonamido)-2-propylphenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(methanesulfonamido)-2-propylphenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(methanesulfonamido)-2-propyl-phenoxy]acetic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)NS(=O)(=O)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)NS(=O)(=O)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C19H21NO7S/c1-3-4-12-9-14(20-28(2,23)24)6-8-15(12)27-18(19(21)22)13-5-7-16-17(10-13)26-11-25-16/h5-10,18,20H,3-4,11H2,1-2H3,(H,21,22)