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

Systemtic Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propylamino]benzenesulfonamide Openeye Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propylamino]benzenesulfonamide CAS Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propylamino]benzenesulfonamide IUPAC Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propylamino]benzenesulfonamide Traditional Name: 4-[2,3-bis(2-nitro-4-triflyl-phenoxy)propylamino]benzenesulfonamide Formula: C23H18F6N4O12S3 MolecularWeight: 752.594039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C23H18F6N4O12S3/c24-22(25,26)46(38,39)16-5-7-20(18(9-16)32(34)35)44-12-14(11-31-13-1-3-15(4-2-13)48(30,42)43)45-21-8-6-17(10-19(21)33(36)37)47(40,41)23(27,28)29/h1-10,14,31H,11-12H2,(H2,30,42,43)