2-[bis(trifluoromethylsulfonyl)amino]-N-(4-methylphenyl)ethanamide hydrate

Systemtic Name: 2-[bis(trifluoromethylsulfonyl)amino]-N-(4-methylphenyl)ethanamide hydrate Openeye Name: 2-[bis(trifluoromethylsulfonyl)amino]-N-(p-tolyl)acetamide hydrate CAS Name: 2-[bis(trifluoromethylsulfonyl)amino]-N-(4-methylphenyl)acetamide hydrate IUPAC Name: 2-[bis(trifluoromethylsulfonyl)amino]-N-(4-methylphenyl)acetamide hydrate Traditional Name: 2-(ditriflylamino)-N-(p-tolyl)acetamide hydrate Formula: C11H12F6N2O6S2 MolecularWeight: 446.343199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O

InChI

InChI=1S/C11H10F6N2O5S2.H2O/c1-7-2-4-8(5-3-7)18-9(20)6-19(25(21,22)10(12,13)14)26(23,24)11(15,16)17;/h2-5H,6H2,1H3,(H,18,20);1H2