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

Systemtic Name: 2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonyl-amino]acetic acid CAS Name: 2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid IUPAC Name: 2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid Traditional Name: 2-[[3-[[carboxymethyl(mesyl)amino]methyl]benzyl]-mesyl-amino]acetic acid Formula: C14H20N2O8S2 MolecularWeight: 408.4472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC(=CC=C1)CN(CC(=O)O)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC(=CC=C1)CN(CC(=O)O)S(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C14H20N2O8S2/c1-25(21,22)15(9-13(17)18)7-11-4-3-5-12(6-11)8-16(10-14(19)20)26(2,23)24/h3-6H,7-10H2,1-2H3,(H,17,18)(H,19,20)