5-bromanyl-3-[2-chloroethyl(sulfonylmethyl)amino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[2-chloroethyl(sulfonylmethyl)amino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-bromo-3-[2-chloroethyl(sulfonylmethyl)amino]-2-methylsulfanyl-benzoic acid CAS Name: 5-bromo-3-[2-chloroethyl(sulfonylmethyl)amino]-2-(methylthio)benzoic acid IUPAC Name: 5-bromo-3-[2-chloroethyl(sulfonylmethyl)amino]-2-methylsulfanylbenzoic acid Traditional Name: 5-bromo-3-[2-chloroethyl(sulfonylmethyl)amino]-2-(methylthio)benzoic acid Formula: C11H11BrClNO4S2 MolecularWeight: 400.69634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1C(=O)O)Br)N(CCCl)C=S(=O)=O

Isomeric SMILES

CSC1=C(C=C(C=C1C(=O)O)Br)N(CCCl)C=S(=O)=O

InChI

InChI=1S/C11H11BrClNO4S2/c1-19-10-8(11(15)16)4-7(12)5-9(10)14(3-2-13)6-20(17)18/h4-6H,2-3H2,1H3,(H,15,16)