7-oxidanylidene-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: 7-oxidanylidene-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: 7-oxo-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide CAS Name: 7-oxo-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: 7-oxo-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: 7-keto-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide Formula: C13H14F3N3O4S MolecularWeight: 365.32817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1=O)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O4S/c14-13(15,16)9-1-3-10(4-2-9)24(22,23)18-6-5-11(20)19(8-7-18)12(17)21/h1-4H,5-8H2,(H2,17,21)