1-[4-ethanoyl-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-ethanoyl-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[4-acetyl-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[4-acetyl-2-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[4-acetyl-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-[4-acetyl-2-[(2-methylolpyrrolidino)methyl]piperazino]-2-(4-mesylphenyl)ethanone Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)CN2CCCC2CO)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCN(C(C1)CN2CCCC2CO)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O5S/c1-16(26)22-10-11-24(19(13-22)14-23-9-3-4-18(23)15-25)21(27)12-17-5-7-20(8-6-17)30(2,28)29/h5-8,18-19,25H,3-4,9-15H2,1-2H3