2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[5-chloro-2-(4-fluorophenyl)sulfanyl-anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[5-chloro-2-(4-fluorophenyl)sulfanylanilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]-1-(4-mesylpiperazino)ethanone Formula: C19H21ClFN3O3S2 MolecularWeight: 457.969743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21ClFN3O3S2/c1-29(26,27)24-10-8-23(9-11-24)19(25)13-22-17-12-14(20)2-7-18(17)28-16-5-3-15(21)4-6-16/h2-7,12,22H,8-11,13H2,1H3