2-[(4-butylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(4-butylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(4-butyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(4-butyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(4-butyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(4-butyl-N-mesyl-anilino)propionic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-4-5-6-12-7-9-13(10-8-12)15(20(3,18)19)11(2)14(16)17/h7-11H,4-6H2,1-3H3,(H,16,17)