N,N-dimethyl-4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoyl]piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoyl]piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]piperazine-1-sulfonamide Traditional Name: N,N-dimethyl-4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]piperazine-1-sulfonamide Formula: C16H22F3N5O5S MolecularWeight: 453.43659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H22F3N5O5S/c1-21(2)30(28,29)23-9-7-22(8-10-23)15(25)5-6-20-13-4-3-12(16(17,18)19)11-14(13)24(26)27/h3-4,11,20H,5-10H2,1-2H3