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

Systemtic Name: 4-[(2,4-dimethylphenyl)methyl-methyl-sulfamoyl]butanoic acid Openeye Name: 4-[(2,4-dimethylphenyl)methyl-methyl-sulfamoyl]butanoic acid CAS Name: 4-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]butanoic acid IUPAC Name: 4-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]butanoic acid Traditional Name: 4-[(2,4-dimethylbenzyl)-methyl-sulfamoyl]butyric acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-11-6-7-13(12(2)9-11)10-15(3)20(18,19)8-4-5-14(16)17/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)