2-[phenylsulfonyl-(2-propan-2-ylphenyl)amino]propanoic acid

Systemtic Name: 2-[phenylsulfonyl-(2-propan-2-ylphenyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2-isopropyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-2-propan-2-ylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2-propan-2-ylanilino]propanoic acid Traditional Name: 2-(N-besyl-2-isopropyl-anilino)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

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