2-[(3-ethylphenyl)methylsulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(3-ethylphenyl)methylsulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(3-ethylphenyl)methylsulfonyl-methyl-amino]acetic acid CAS Name: 2-[(3-ethylphenyl)methylsulfonyl-methylamino]acetic acid IUPAC Name: 2-[(3-ethylphenyl)methylsulfonyl-methylamino]acetic acid Traditional Name: 2-[(3-ethylbenzyl)sulfonyl-methyl-amino]acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CS(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)CS(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-3-10-5-4-6-11(7-10)9-18(16,17)13(2)8-12(14)15/h4-7H,3,8-9H2,1-2H3,(H,14,15)