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

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-methyl-benzamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-methyl-benzamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-4-methylbenzamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-methylbenzamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]sulfonylpropyl]-4-methyl-benzamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O3S/c1-17-7-9-18(10-8-17)21(26)23-11-4-16-29(27,28)25-14-12-24(13-15-25)20-6-3-2-5-19(20)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)