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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC(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=C(C(=C1)NCC(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)14-5-7-19(17(9-14)32(34)35)44-12-13(11-31-16-3-1-2-4-21(16)48(30,42)43)45-20-8-6-15(10-18(20)33(36)37)47(40,41)23(27,28)29/h1-10,13,31H,11-12H2,(H2,30,42,43)