3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]butyric acid Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F

InChI

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