1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(2-hydroxyethylsulfanyl)ethanone

Systemtic Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(2-hydroxyethylsulfanyl)ethanone Openeye Name: 2-(2-hydroxyethylsulfanyl)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-2-(2-hydroxyethylthio)ethanone IUPAC Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(2-hydroxyethylsulfanyl)ethanone Traditional Name: 2-(2-hydroxyethylthio)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethanone Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCO

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCO

InChI

InChI=1S/C18H28N2O4S2/c1-3-15(2)16-4-6-17(7-5-16)26(23,24)20-10-8-19(9-11-20)18(22)14-25-13-12-21/h4-7,15,21H,3,8-14H2,1-2H3/t15-/m0/s1