2-[(2-fluorophenyl)methyl-methyl-amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-fluorophenyl)methyl-methyl-amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2-fluorophenyl)methyl-methyl-amino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-fluorophenyl)methyl-methylamino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2-fluorophenyl)methyl-methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2-fluorobenzyl)-methyl-amino]-1-(4-tosylpiperazino)ethanone Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O3S/c1-17-7-9-19(10-8-17)29(27,28)25-13-11-24(12-14-25)21(26)16-23(2)15-18-5-3-4-6-20(18)22/h3-10H,11-16H2,1-2H3