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

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(2-phenylpropylsulfonylamino)piperidin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(2-phenylpropylsulfonylamino)-1-piperidyl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(2-phenylpropylsulfonylamino)-1-piperidinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(2-phenylpropylsulfonylamino)piperidin-1-yl]ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(2-phenylpropylsulfonylamino)piperidino]ethyl]urea Formula: C27H35N5O3S MolecularWeight: 509.6635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O3S/c1-20(22-8-4-3-5-9-22)19-36(34,35)31-23-12-15-32(16-13-23)17-14-28-27(33)30-26-18-21(2)29-25-11-7-6-10-24(25)26/h3-11,18,20,23,31H,12-17,19H2,1-2H3,(H2,28,29,30,33)