2-[3-cyano-4-[3-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-isopropylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-isopropylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C17H15F3N2O4S/c1-10(2)27(25,26)14-4-11(3-13(5-14)17(18,19)20)15-8-22(9-16(23)24)7-12(15)6-21/h3-5,7-8,10H,9H2,1-2H3,(H,23,24)