2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]ethanone Formula: C23H27ClFN3O3S MolecularWeight: 479.995183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27ClFN3O3S/c24-21-7-4-8-22(25)20(21)15-27(19-9-10-19)16-23(29)26-11-13-28(14-12-26)32(30,31)17-18-5-2-1-3-6-18/h1-8,19H,9-17H2