2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-propyl-propanamide

Systemtic Name: 2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-N-propylpropanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-propyl-propionamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S2/c1-3-11-23-22(27)18(2)30-21-10-9-20(16-24-21)31(28,29)26-14-12-25(13-15-26)17-19-7-5-4-6-8-19/h4-10,16,18H,3,11-15,17H2,1-2H3,(H,23,27)