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

Systemtic Name: 1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfinylphenyl)ethanone Openeye Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfinylphenyl)ethanone CAS Name: 1-[4-acetyl-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-(4-methylsulfinylphenyl)ethanone IUPAC Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfinylphenyl)ethanone Traditional Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidino]methyl]piperazino]-2-(4-methylsulfinylphenyl)ethanone Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/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(6-4-16)28(2)27/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-,28?/m0/s1