5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(mesyl)amino]propyl]-2-thenoic acid Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21NO6S2/c1-27(22,23)19(8-2-3-14-5-7-17(26-14)18(20)21)12-13-4-6-15-16(11-13)25-10-9-24-15/h4-7,11H,2-3,8-10,12H2,1H3,(H,20,21)