2-[phenylsulfonyl-(2,4,6-trimethylphenyl)amino]propanoic acid

Systemtic Name: 2-[phenylsulfonyl-(2,4,6-trimethylphenyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2,4,6-trimethyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-2,4,6-trimethylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2,4,6-trimethylanilino]propanoic acid Traditional Name: 2-(N-besyl-2,4,6-trimethyl-anilino)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO4S/c1-12-10-13(2)17(14(3)11-12)19(15(4)18(20)21)24(22,23)16-8-6-5-7-9-16/h5-11,15H,1-4H3,(H,20,21)