2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]propanoic acid

Systemtic Name: 2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]propanoic acid Openeye Name: 2-(4-isopropyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(N-methylsulfonyl-4-propan-2-ylanilino)propanoic acid IUPAC Name: 2-(N-methylsulfonyl-4-propan-2-ylanilino)propanoic acid Traditional Name: 2-(4-isopropyl-N-mesyl-anilino)propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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