2-[(2-ethyl-6-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2-ethyl-6-methyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-2-ethyl-6-methylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2-ethyl-6-methylanilino]propanoic acid Traditional Name: 2-(N-besyl-2-ethyl-6-methyl-anilino)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO4S/c1-4-15-10-8-9-13(2)17(15)19(14(3)18(20)21)24(22,23)16-11-6-5-7-12-16/h5-12,14H,4H2,1-3H3,(H,20,21)