N-[(4-fluorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(4-fluorobenzyl)-4-keto-4-(4-tosylpiperazino)butyramide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=C(C=C3)F

InChI

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