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

Systemtic Name: 4-[(2-bromanyl-5-methoxycarbonyl-thiophen-3-yl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-bromo-5-methoxycarbonyl-3-thienyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2-bromo-5-methoxycarbonyl-3-thiophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2-bromo-5-carbomethoxy-3-thienyl)sulfonyl-methyl-amino]butyric acid Formula: C11H14BrNO6S2 MolecularWeight: 400.26596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO6S2/c1-13(5-3-4-9(14)15)21(17,18)8-6-7(11(16)19-2)20-10(8)12/h6H,3-5H2,1-2H3,(H,14,15)