N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C17H14BrF6NO3S MolecularWeight: 506.257379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14BrF6NO3S/c1-28-15-3-2-13(18)6-10(15)4-5-25-29(26,27)14-8-11(16(19,20)21)7-12(9-14)17(22,23)24/h2-3,6-9,25H,4-5H2,1H3