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

Systemtic Name: 5-[3-[3-(1,3-benzodioxol-5-yl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(1,3-benzodioxol-5-yl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(1,3-benzodioxol-5-yl)propyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(1,3-benzodioxol-5-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(1,3-benzodioxol-5-yl)propyl-mesyl-amino]propyl]-2-thenoic acid Formula: C19H23NO6S2 MolecularWeight: 425.51902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC2=C(C=C1)OCO2)CCCC3=CC=C(S3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC2=C(C=C1)OCO2)CCCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C19H23NO6S2/c1-28(23,24)20(11-3-5-15-7-9-18(27-15)19(21)22)10-2-4-14-6-8-16-17(12-14)26-13-25-16/h6-9,12H,2-5,10-11,13H2,1H3,(H,21,22)