5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-mesyl-amino]propyl]-2-thenoic acid Formula: C18H21NO7S2 MolecularWeight: 427.49184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCOC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCOC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO7S2/c1-28(22,23)19(8-2-3-14-5-7-17(27-14)18(20)21)9-10-24-13-4-6-15-16(11-13)26-12-25-15/h4-7,11H,2-3,8-10,12H2,1H3,(H,20,21)