1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-acetyl-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidino]methyl]piperazino]-2-[4-(methylthio)phenyl]ethanone Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)N1CCN(C(C1)CN2CC[C@@H](C2)O)C(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H29N3O3S/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(27-2)6-4-16/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-/m0/s1