2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-1-piperidino-ethanone Formula: C23H30N4O3S2 MolecularWeight: 474.6393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S2/c28-23(26-11-5-2-6-12-26)19-31-22-10-9-21(17-24-22)32(29,30)27-15-13-25(14-16-27)18-20-7-3-1-4-8-20/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2