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

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(phenethylsulfonylamino)piperidin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(phenethylsulfonylamino)-1-piperidyl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(phenethylsulfonylamino)-1-piperidinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(phenethylsulfonylamino)piperidin-1-yl]ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(phenethylsulfonylamino)piperidino]ethyl]urea Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O3S/c1-20-19-25(23-9-5-6-10-24(23)28-20)29-26(32)27-14-17-31-15-11-22(12-16-31)30-35(33,34)18-13-21-7-3-2-4-8-21/h2-10,19,22,30H,11-18H2,1H3,(H2,27,28,29,32)