3-[(4-dimethylaminophenyl)methyl-methylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-dimethylaminophenyl)methyl-methylsulfonyl-amino]propanoic acid Openeye Name: 3-[(4-dimethylaminophenyl)methyl-methylsulfonyl-amino]propanoic acid CAS Name: 3-[(4-dimethylaminophenyl)methyl-methylsulfonylamino]propanoic acid IUPAC Name: 3-[(4-dimethylaminophenyl)methyl-methylsulfonylamino]propanoic acid Traditional Name: 3-[[4-(dimethylamino)benzyl]-mesyl-amino]propionic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H20N2O4S/c1-14(2)12-6-4-11(5-7-12)10-15(20(3,18)19)9-8-13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17)