N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(4-fluoro-3-methyl-benzyl)acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

InChI

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