2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoic acid Openeye Name: 2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetic acid IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetic acid Traditional Name: 2-(4-isopropyl-N-tosyl-anilino)acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-13(2)15-6-8-16(9-7-15)19(12-18(20)21)24(22,23)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,21)