5-bromanyl-2-chloranyl-3-(2-chloroethylsulfonylmethylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-chloranyl-3-(2-chloroethylsulfonylmethylamino)benzoic acid Openeye Name: 5-bromo-2-chloro-3-(2-chloroethylsulfonylmethylamino)benzoic acid CAS Name: 5-bromo-2-chloro-3-(2-chloroethylsulfonylmethylamino)benzoic acid IUPAC Name: 5-bromo-2-chloro-3-(2-chloroethylsulfonylmethylamino)benzoic acid Traditional Name: 5-bromo-2-chloro-3-(2-chloroethylsulfonylmethylamino)benzoic acid Formula: C10H10BrCl2NO4S MolecularWeight: 391.0657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NCS(=O)(=O)CCCl)Cl)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1NCS(=O)(=O)CCCl)Cl)C(=O)O)Br

InChI

InChI=1S/C10H10BrCl2NO4S/c11-6-3-7(10(15)16)9(13)8(4-6)14-5-19(17,18)2-1-12/h3-4,14H,1-2,5H2,(H,15,16)