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

Systemtic Name: (2S)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-phenyl-propan-1-one Openeye Name: (2S)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-phenyl-propan-1-one CAS Name: (2S)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-phenyl-1-propanone IUPAC Name: (2S)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-phenylpropan-1-one Traditional Name: (2S)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-1-phenyl-propan-1-one Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-15(19(23)16-6-4-3-5-7-16)26-18-9-8-17(14-20-18)27(24,25)22-12-10-21(2)11-13-22/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m0/s1