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

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]sulfonylpropyl]-2-methyl-3-nitro-benzamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O5S/c1-16-17(6-4-9-19(16)26(28)29)21(27)23-10-5-15-32(30,31)25-13-11-24(12-14-25)20-8-3-2-7-18(20)22/h2-4,6-9H,5,10-15H2,1H3,(H,23,27)