3-[4-(2-chloranyl-4-nitro-phenoxy)butylcarbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[4-(2-chloranyl-4-nitro-phenoxy)butylcarbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[4-(2-chloro-4-nitro-phenoxy)butylcarbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[[4-(2-chloro-4-nitrophenoxy)butylamino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[4-(2-chloro-4-nitrophenoxy)butylcarbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[4-(2-chloro-4-nitro-phenoxy)butylcarbamoylamino]benzenesulfonyl fluoride Formula: C17H17ClFN3O6S MolecularWeight: 445.849783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClFN3O6S/c18-15-11-13(22(24)25)6-7-16(15)28-9-2-1-8-20-17(23)21-12-4-3-5-14(10-12)29(19,26)27/h3-7,10-11H,1-2,8-9H2,(H2,20,21,23)