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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(C=C1)S(=O)(=O)N)OC2=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-]

Isomeric SMILES

CCCNC1=C(C(=C(C=C1)S(=O)(=O)N)OC2=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-]

InChI

InChI=1S/C23H18F6N4O12S3/c1-2-9-31-14-5-8-19(48(30,42)43)21(45-18-7-4-13(11-16(18)33(36)37)47(40,41)23(27,28)29)20(14)44-17-6-3-12(10-15(17)32(34)35)46(38,39)22(24,25)26/h3-8,10-11,31H,2,9H2,1H3,(H2,30,42,43)