2-(hydroxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-sulfonamide

Systemtic Name: 2-(hydroxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-sulfonamide Openeye Name: 2-(hydroxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-sulfonamide CAS Name: 2-(hydroxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-sulfonamide IUPAC Name: 2-(hydroxymethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-sulfonamide Traditional Name: 2-methylol-N-[4-(trifluoromethyl)benzyl]-1,3-benzothiazole-5-sulfonamide Formula: C16H13F3N2O3S2 MolecularWeight: 402.41123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)CO)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)CO)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O3S2/c17-16(18,19)11-3-1-10(2-4-11)8-20-26(23,24)12-5-6-14-13(7-12)21-15(9-22)25-14/h1-7,20,22H,8-9H2