N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethyloxy)-3,4-dihydrochromen-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethyloxy)-3,4-dihydrochromen-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl]-4-nitro-benzenesulfonamide Formula: C18H17F3N2O7S MolecularWeight: 462.39699

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OC(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)OC(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H17F3N2O7S/c1-17(2)16(24)15(13-9-11(29-18(19,20)21)5-8-14(13)30-17)22-31(27,28)12-6-3-10(4-7-12)23(25)26/h3-9,15-16,22,24H,1-2H3/t15-,16+/m1/s1