4-methyl-3-nitro-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylethyl]benzamide Formula: C21H23F3N4O5S MolecularWeight: 500.49133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O5S/c1-15-5-6-16(13-19(15)28(30)31)20(29)25-7-12-34(32,33)27-10-8-26(9-11-27)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3,(H,25,29)