N-[2-(hydroxymethyl)-4-methyl-phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(hydroxymethyl)-4-methyl-phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(hydroxymethyl)-4-methyl-phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(hydroxymethyl)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(hydroxymethyl)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-(4-methyl-2-methylol-phenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C16H13F6NO3S MolecularWeight: 413.334739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CO

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CO

InChI

InChI=1S/C16H13F6NO3S/c1-9-2-3-14(10(4-9)8-24)23-27(25,26)13-6-11(15(17,18)19)5-12(7-13)16(20,21)22/h2-7,23-24H,8H2,1H3