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2,6-dimethyl-5-propan-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

2,6-dimethyl-5-propan-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name:2,6-dimethyl-5-propan-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
Openeye Name:5-isopropylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
CAS Name:2,6-dimethyl-5-propan-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
IUPAC Name:2,6-dimethyl-5-propan-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
Traditional Name:5-isopropylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
Formula: C18H20F3NO4S
MolecularWeight: 403.41591
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C(C)C)C2=CC(=CC=C2)C(F)(F)F)C(=O)O


Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C(C)C)C2=CC(=CC=C2)C(F)(F)F)C(=O)O


InChI

InChI=1S/C18H20F3NO4S/c1-9(2)27(25,26)16-11(4)22-10(3)14(17(23)24)15(16)12-6-5-7-13(8-12)18(19,20)21/h5-9,15,22H,1-4H3,(H,23,24)


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