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

Systemtic Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]sulfonylethyl]-4-methyl-3-nitro-benzamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O5S/c1-15-6-7-16(14-19(15)25(27)28)20(26)22-8-13-31(29,30)24-11-9-23(10-12-24)18-5-3-2-4-17(18)21/h2-7,14H,8-13H2,1H3,(H,22,26)