2-[phenyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[phenyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-(N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)acetic acid CAS Name: 2-(N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)acetic acid Traditional Name: 2-(N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2)C)C

InChI

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