3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazole

Systemtic Name: 3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazole Openeye Name: 3-(2,2-dimethylchroman-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazole CAS Name: 3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole IUPAC Name: 3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole Traditional Name: 3-(2,2-dimethylchroman-6-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazole Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C21H19F3N2O3S/c1-20(2)10-8-15-12-14(6-7-19(15)29-20)18-9-11-26(25-18)30(27,28)17-5-3-4-16(13-17)21(22,23)24/h3-7,9,11-13H,8,10H2,1-2H3