2-[(4-bromanyl-3-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methylanilino]propanoic acid Traditional Name: 2-(N-besyl-4-bromo-3-methyl-anilino)propionic acid Formula: C16H16BrNO4S MolecularWeight: 398.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-10-13(8-9-15(11)17)18(12(2)16(19)20)23(21,22)14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,19,20)