3-[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoic acid Openeye Name: 3-(4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonyl-anilino)propanoic acid CAS Name: 3-(4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)propanoic acid IUPAC Name: 3-(4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)propanoic acid Traditional Name: 3-(4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonyl-anilino)propionic acid Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3NO4S/c1-12-5-7-14(8-6-12)21(10-9-16(22)23)26(24,25)15-4-2-3-13(11-15)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,22,23)