N-ethyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O5S/c1-2-24-33(31,32)16-5-3-4-14(12-16)19(28)26-10-8-25(9-11-26)17-7-6-15(20(21,22)23)13-18(17)27(29)30/h3-7,12-13,24H,2,8-11H2,1H3