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

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C21H19F3N4O5S MolecularWeight: 496.45957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O5S/c1-2-9-25-34(32,33)17-6-3-15(4-7-17)20(29)27-12-10-26(11-13-27)18-8-5-16(21(22,23)24)14-19(18)28(30)31/h1,3-8,14,25H,9-13H2