4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-chloranyl-indol-2-yl]butanoic acid

Systemtic Name: 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-chloranyl-indol-2-yl]butanoic acid Openeye Name: 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid CAS Name: 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-chloro-2-indolyl]butanoic acid IUPAC Name: 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid Traditional Name: 4-(5-chloro-1-piazthiol-4-ylsulfonyl-indol-2-yl)butyric acid Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

InChI

InChI=1S/C18H14ClN3O4S2/c19-12-7-8-15-11(9-12)10-13(3-1-6-17(23)24)22(15)28(25,26)16-5-2-4-14-18(16)21-27-20-14/h2,4-5,7-10H,1,3,6H2,(H,23,24)