1-[6-(4-ethanoylpiperazin-1-yl)sulfonylhexyl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[6-(4-ethanoylpiperazin-1-yl)sulfonylhexyl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[6-(4-acetylpiperazin-1-yl)sulfonylhexyl]-3-(3-pyridylmethyl)urea CAS Name: 1-[6-[(4-acetyl-1-piperazinyl)sulfonyl]hexyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[6-(4-acetylpiperazin-1-yl)sulfonylhexyl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[6-(4-acetylpiperazino)sulfonylhexyl]-3-(3-pyridylmethyl)urea Formula: C19H31N5O4S MolecularWeight: 425.54554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)CCCCCCNC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)CCCCCCNC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C19H31N5O4S/c1-17(25)23-10-12-24(13-11-23)29(27,28)14-5-3-2-4-9-21-19(26)22-16-18-7-6-8-20-15-18/h6-8,15H,2-5,9-14,16H2,1H3,(H2,21,22,26)