1-methyl-4-[6-[2-[(S)-phenylsulfinyl]ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[2-[(S)-phenylsulfinyl]ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[2-[(S)-phenylsulfinyl]ethylthio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[2-[(S)-phenylsulfinyl]ethylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[2-[(S)-phenylsulfinyl]ethylthio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C18H24N3O3S3+ MolecularWeight: 426.59646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCS(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC[S@](=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S3/c1-20-9-11-21(12-10-20)27(23,24)17-7-8-18(19-15-17)25-13-14-26(22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3/p+1/t26-/m0/s1