[4-(chloranylsulfonylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(chloranylsulfonylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(chlorosulfonylcarbamoylamino)-3-nitro-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(chlorosulfonylamino)-oxomethyl]amino]-3-nitrophenyl] ester IUPAC Name: [4-(chlorosulfonylcarbamoylamino)-3-nitrophenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-(chlorosulfonylcarbamoylamino)-3-nitro-phenyl] ester Formula: C14H9ClF3N3O8S2 MolecularWeight: 503.81477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)NS(=O)(=O)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)NS(=O)(=O)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H9ClF3N3O8S2/c15-31(27,28)20-13(22)19-11-5-4-9(7-12(11)21(23)24)29-30(25,26)10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H2,19,20,22)