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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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