2-(4-methylsulfonylphenyl)-2-(propylamino)propanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoic acid Traditional Name: 2-(4-mesylphenyl)-2-(propylamino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCNC(C)(C1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-4-9-14-13(2,12(15)16)10-5-7-11(8-6-10)19(3,17)18/h5-8,14H,4,9H2,1-3H3,(H,15,16)