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3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-2-oxidanyl-4-(propylamino)benzenesulfonamide

3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-2-oxidanyl-4-(propylamino)benzenesulfonamide

Systemtic Name:3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-2-oxidanyl-4-(propylamino)benzenesulfonamide
Openeye Name:2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-4-(propylamino)benzenesulfonamide
CAS Name:2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-4-(propylamino)benzenesulfonamide
IUPAC Name:2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-4-(propylamino)benzenesulfonamide
Traditional Name:2-hydroxy-3-(2-nitro-4-triflyl-phenoxy)-4-(propylamino)benzenesulfonamide
Formula: C16H16F3N3O8S2
MolecularWeight: 499.43875
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(C=C1)S(=O)(=O)N)O)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CCCNC1=C(C(=C(C=C1)S(=O)(=O)N)O)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C16H16F3N3O8S2/c1-2-7-21-10-4-6-13(32(20,28)29)14(23)15(10)30-12-5-3-9(8-11(12)22(24)25)31(26,27)16(17,18)19/h3-6,8,21,23H,2,7H2,1H3,(H2,20,28,29)


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