1-(2-methylquinolin-4-yl)-3-[2-[4-(naphthalen-1-ylsulfonylamino)piperidin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(naphthalen-1-ylsulfonylamino)piperidin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(1-naphthylsulfonylamino)-1-piperidyl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(1-naphthalenylsulfonylamino)-1-piperidinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(naphthalen-1-ylsulfonylamino)piperidin-1-yl]ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(1-naphthylsulfonylamino)piperidino]ethyl]urea Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O3S/c1-20-19-26(24-10-4-5-11-25(24)30-20)31-28(34)29-15-18-33-16-13-22(14-17-33)32-37(35,36)27-12-6-8-21-7-2-3-9-23(21)27/h2-12,19,22,32H,13-18H2,1H3,(H2,29,30,31,34)