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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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