N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-homoveratryl-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C18H17F6NO4S MolecularWeight: 457.387299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F6NO4S/c1-28-15-4-3-11(7-16(15)29-2)5-6-25-30(26,27)14-9-12(17(19,20)21)8-13(10-14)18(22,23)24/h3-4,7-10,25H,5-6H2,1-2H3