N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-mesyl-6,7-dihydroisobenzothiophene-1-carboxamide Formula: C18H13F6NO3S2 MolecularWeight: 469.421139

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13F6NO3S2/c1-30(27,28)16-13-5-3-2-4-12(13)14(29-16)15(26)25-11-7-9(17(19,20)21)6-10(8-11)18(22,23)24/h3,5-8H,2,4H2,1H3,(H,25,26)