5-[3-(2-chloranyl-4-nitro-phenoxy)propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride

Systemtic Name: 5-[3-(2-chloranyl-4-nitro-phenoxy)propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[3-(2-chloro-4-nitro-phenoxy)propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[[3-(2-chloro-4-nitrophenoxy)propylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[3-(2-chloro-4-nitrophenoxy)propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[3-(2-chloro-4-nitro-phenoxy)propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Formula: C17H17ClFN3O6S MolecularWeight: 445.849783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)F

InChI

InChI=1S/C17H17ClFN3O6S/c1-11-3-4-12(9-16(11)29(19,26)27)21-17(23)20-7-2-8-28-15-6-5-13(22(24)25)10-14(15)18/h3-6,9-10H,2,7-8H2,1H3,(H2,20,21,23)