2-[[5-(1,3-benzodioxol-5-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]-methyl-amino]acetic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]-methylamino]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]-methylamino]acetic acid Traditional Name: 2-[methyl-(5-piperonylsulfonyl-1,2,4-thiadiazol-3-yl)amino]acetic acid Formula: C13H13N3O6S2 MolecularWeight: 371.38882

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=NSC(=N1)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC(=O)O)C1=NSC(=N1)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O6S2/c1-16(5-11(17)18)12-14-13(23-15-12)24(19,20)6-8-2-3-9-10(4-8)22-7-21-9/h2-4H,5-7H2,1H3,(H,17,18)