3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-phenoxy-butanoic acid

Systemtic Name: 3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-phenoxy-butanoic acid Openeye Name: 3-methyl-2-phenoxy-4-(p-tolylsulfonylamino)butanoic acid CAS Name: 3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-phenoxybutanoic acid IUPAC Name: 3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-phenoxybutanoic acid Traditional Name: 3-methyl-2-phenoxy-4-(tosylamino)butyric acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C(C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C(C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-12-14(2)17(18(20)21)24-15-6-4-3-5-7-15/h3-11,14,17,19H,12H2,1-2H3,(H,20,21)