N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-nitro-phenyl]benzenesulfonamide

Systemtic Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-nitro-phenyl]benzenesulfonamide Openeye Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-nitro-phenyl]benzenesulfonamide CAS Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-nitrophenyl]benzenesulfonamide IUPAC Name: N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-nitrophenyl]benzenesulfonamide Traditional Name: N-[4-[[3,5-bis(trifluoromethyl)benzyl]amino]-3-nitro-phenyl]benzenesulfonamide Formula: C21H15F6N3O4S MolecularWeight: 519.416919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H15F6N3O4S/c22-20(23,24)14-8-13(9-15(10-14)21(25,26)27)12-28-18-7-6-16(11-19(18)30(31)32)29-35(33,34)17-4-2-1-3-5-17/h1-11,28-29H,12H2