2-[(2-bromanyl-4-methyl-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(2-bromo-4-methyl-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(2-bromo-4-methylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(2-bromo-4-methylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(2-bromo-4-methyl-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(CC2CC2)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(CC2CC2)CC(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-9-2-5-12(11(14)6-9)20(18,19)15(8-13(16)17)7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,17)