4-chloranyl-N-(2-cyanoethyl)-3-[[2-(trifluoromethyloxy)phenyl]sulfonylamino]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-cyanoethyl)-3-[[2-(trifluoromethyloxy)phenyl]sulfonylamino]benzenesulfonamide Openeye Name: 4-chloro-N-(2-cyanoethyl)-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide CAS Name: 4-chloro-N-(2-cyanoethyl)-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-cyanoethyl)-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide Traditional Name: 4-chloro-N-(2-cyanoethyl)-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide Formula: C16H13ClF3N3O5S2 MolecularWeight: 483.86973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCC#N)Cl

InChI

InChI=1S/C16H13ClF3N3O5S2/c17-12-7-6-11(29(24,25)22-9-3-8-21)10-13(12)23-30(26,27)15-5-2-1-4-14(15)28-16(18,19)20/h1-2,4-7,10,22-23H,3,9H2