1-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylpropan-2-one Openeye Name: 1-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propan-2-one CAS Name: 1-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-2-propanone IUPAC Name: 1-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]acetone Formula: C19H23N3O3S2 MolecularWeight: 405.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S2/c1-16(23)15-26-19-8-7-18(13-20-19)27(24,25)22-11-9-21(10-12-22)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3