3-[(2,4-dimethylphenyl)methyl-methyl-sulfamoyl]propanoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl-methyl-sulfamoyl]propanoic acid Openeye Name: 3-[(2,4-dimethylphenyl)methyl-methyl-sulfamoyl]propanoic acid CAS Name: 3-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]propanoic acid IUPAC Name: 3-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]propanoic acid Traditional Name: 3-[(2,4-dimethylbenzyl)-methyl-sulfamoyl]propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)S(=O)(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)S(=O)(=O)CCC(=O)O)C

InChI

InChI=1S/C13H19NO4S/c1-10-4-5-12(11(2)8-10)9-14(3)19(17,18)7-6-13(15)16/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)