3-[(3,5-dimethylphenyl)-propylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-propylsulfonyl-amino]propanoic acid Openeye Name: 3-(3,5-dimethyl-N-propylsulfonyl-anilino)propanoic acid CAS Name: 3-(3,5-dimethyl-N-propylsulfonylanilino)propanoic acid IUPAC Name: 3-(3,5-dimethyl-N-propylsulfonylanilino)propanoic acid Traditional Name: 3-(3,5-dimethyl-N-propylsulfonyl-anilino)propionic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C)C

Isomeric SMILES

CCCS(=O)(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C)C

InChI

InChI=1S/C14H21NO4S/c1-4-7-20(18,19)15(6-5-14(16)17)13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H,16,17)