N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-fluoro-3-methyl-phenyl)methyl]-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-N-(4-fluoro-3-methyl-benzyl)-4-keto-butyramide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O4S/c1-17-15-18(7-8-20(17)23)16-24-21(27)9-10-22(28)25-11-13-26(14-12-25)31(29,30)19-5-3-2-4-6-19/h2-8,15H,9-14,16H2,1H3,(H,24,27)