N-[2-(4-ethanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(4-ethanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(4-acetylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]-4-fluoro-benzamide CAS Name: N-[2-(4-acetyl-1-piperazinyl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-(4-acetylpiperazino)-2-keto-1-tosyl-ethyl]-4-fluoro-benzamide Formula: C22H24FN3O5S MolecularWeight: 461.506463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O5S/c1-15-3-9-19(10-4-15)32(30,31)21(24-20(28)17-5-7-18(23)8-6-17)22(29)26-13-11-25(12-14-26)16(2)27/h3-10,21H,11-14H2,1-2H3,(H,24,28)