3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propanoic acid Openeye Name: 3-[2,1,3-benzothiadiazol-4-ylsulfonyl(2-furylmethyl)amino]propanoic acid CAS Name: 3-[2,1,3-benzothiadiazol-4-ylsulfonyl(2-furanylmethyl)amino]propanoic acid IUPAC Name: 3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[2-furfuryl(piazthiol-4-ylsulfonyl)amino]propionic acid Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)N(CCC(=O)O)CC3=CC=CO3

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)N(CCC(=O)O)CC3=CC=CO3

InChI

InChI=1S/C14H13N3O5S2/c18-13(19)6-7-17(9-10-3-2-8-22-10)24(20,21)12-5-1-4-11-14(12)16-23-15-11/h1-5,8H,6-7,9H2,(H,18,19)