N-(3-azanyl-4-methyl-phenyl)-3,5-bis(trifluoromethylsulfonyl)benzamide

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-3,5-bis(trifluoromethylsulfonyl)benzamide Openeye Name: N-(3-amino-4-methyl-phenyl)-3,5-bis(trifluoromethylsulfonyl)benzamide CAS Name: N-(3-amino-4-methylphenyl)-3,5-bis(trifluoromethylsulfonyl)benzamide IUPAC Name: N-(3-amino-4-methylphenyl)-3,5-bis(trifluoromethylsulfonyl)benzamide Traditional Name: N-(3-amino-4-methyl-phenyl)-3,5-ditriflyl-benzamide Formula: C16H12F6N2O5S2 MolecularWeight: 490.397299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C16H12F6N2O5S2/c1-8-2-3-10(6-13(8)23)24-14(25)9-4-11(30(26,27)15(17,18)19)7-12(5-9)31(28,29)16(20,21)22/h2-7H,23H2,1H3,(H,24,25)