2-[(5-bromanyl-2-methyl-phenyl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonyl-methyl-amino]acetic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4S/c1-7-3-4-8(11)5-9(7)17(15,16)12(2)6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14)