1,3-benzothiazol-2-ylmethyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate CAS Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]valeric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21F3N2O4S2 MolecularWeight: 486.52765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S2/c1-13(2)10-17(20(27)30-12-19-25-16-8-3-4-9-18(16)31-19)26-32(28,29)15-7-5-6-14(11-15)21(22,23)24/h3-9,11,13,17,26H,10,12H2,1-2H3