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

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

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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=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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