1-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-pyridyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[4-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-pyridinyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[[4-[(4-esylpiperazino)methyl]-2-pyridyl]methyl]-1-(6-methyl-3-pyridyl)urea Formula: C20H28N6O3S MolecularWeight: 432.53972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=NC=C2)CN(C3=CN=C(C=C3)C)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=NC=C2)CN(C3=CN=C(C=C3)C)C(=O)N

InChI

InChI=1S/C20H28N6O3S/c1-3-30(28,29)25-10-8-24(9-11-25)14-17-6-7-22-18(12-17)15-26(20(21)27)19-5-4-16(2)23-13-19/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H2,21,27)