7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[mesyl-[4-(trifluoromethyl)benzyl]amino]enanthic acid Formula: C16H22F3NO4S MolecularWeight: 381.41039

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C16H22F3NO4S/c1-25(23,24)20(11-5-3-2-4-6-15(21)22)12-13-7-9-14(10-8-13)16(17,18)19/h7-10H,2-6,11-12H2,1H3,(H,21,22)