N-(1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-triflyl-benzamide Formula: C16H11F3N2O3S2 MolecularWeight: 400.39535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H11F3N2O3S2/c17-16(18,19)26(23,24)11-7-5-10(6-8-11)15(22)20-9-14-21-12-3-1-2-4-13(12)25-14/h1-8H,9H2,(H,20,22)