[4-(trifluoromethyl)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid [4-(trifluoromethyl)benzyl] ester Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO4S/c1-12-3-9-16(10-4-12)27(24,25)22-13(2)17(23)26-11-14-5-7-15(8-6-14)18(19,20)21/h3-10,13,22H,11H2,1-2H3