4-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,5-dibromo-3-thienyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2,5-dibromo-3-thiophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2,5-dibromothiophen-3-yl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2,5-dibromo-3-thienyl)sulfonyl-methyl-amino]butyric acid Formula: C9H11Br2NO4S2 MolecularWeight: 421.12594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=C(SC(=C1)Br)Br

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=C(SC(=C1)Br)Br

InChI

InChI=1S/C9H11Br2NO4S2/c1-12(4-2-3-8(13)14)18(15,16)6-5-7(10)17-9(6)11/h5H,2-4H2,1H3,(H,13,14)