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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2,4-dimethylbenzyl)-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-17-4-5-19(18(2)14-17)15-24(3)16-22(27)25-10-12-26(13-11-25)30(28,29)21-8-6-20(23)7-9-21/h4-9,14H,10-13,15-16H2,1-3H3