(2S)-1-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-fluorophenyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-fluorophenyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(4-fluorophenyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propan-1-one Formula: C19H23FN3O3S2+ MolecularWeight: 424.532623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H22FN3O3S2/c1-14(19(24)15-3-5-16(20)6-4-15)27-18-8-7-17(13-21-18)28(25,26)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3/p+1/t14-/m0/s1