1-(2-methylquinolin-4-yl)-3-[2-(4-octylsulfonylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-octylsulfonylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-(4-octylsulfonylpiperazin-1-yl)ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-(4-octylsulfonyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-octylsulfonylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-(4-octylsulfonylpiperazino)ethyl]urea Formula: C25H39N5O3S MolecularWeight: 489.67386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C25H39N5O3S/c1-3-4-5-6-7-10-19-34(32,33)30-17-15-29(16-18-30)14-13-26-25(31)28-24-20-21(2)27-23-12-9-8-11-22(23)24/h8-9,11-12,20H,3-7,10,13-19H2,1-2H3,(H2,26,27,28,31)