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

Systemtic Name: 5-[3-(2-chloranyl-4-nitro-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[3-(2-chloro-4-nitro-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[3-(2-chloro-4-nitrophenoxy)propylamino]-oxomethyl]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[3-(2-chloro-4-nitrophenoxy)propylcarbamoyl]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[3-(2-chloro-4-nitro-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride Formula: C17H16ClFN2O6S MolecularWeight: 430.835143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O6S/c1-11-3-4-12(9-16(11)28(19,25)26)17(22)20-7-2-8-27-15-6-5-13(21(23)24)10-14(15)18/h3-6,9-10H,2,7-8H2,1H3,(H,20,22)