1-[2-[(6-chloranyl-2-methyl-quinolin-4-yl)amino]ethyl]-3-[2-methoxy-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonyl-phenyl]-1-(4-methoxyphenyl)sulfonyl-urea

Systemtic Name: 1-[2-[(6-chloranyl-2-methyl-quinolin-4-yl)amino]ethyl]-3-[2-methoxy-4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonyl-phenyl]-1-(4-methoxyphenyl)sulfonyl-urea Openeye Name: 1-[2-[(6-chloro-2-methyl-4-quinolyl)amino]ethyl]-3-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)-2-methoxy-phenyl]-1-(4-methoxyphenyl)sulfonyl-urea CAS Name: 1-[2-[(6-chloro-2-methyl-4-quinolinyl)amino]ethyl]-3-[4-[(4-hydroxy-4-phenyl-1-piperidinyl)-oxomethyl]-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylurea IUPAC Name: 1-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-3-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylurea Traditional Name: 1-[2-[(6-chloro-2-methyl-4-quinolyl)amino]ethyl]-3-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)-2-methoxy-phenyl]-1-(4-methoxyphenyl)sulfonyl-urea Formula: C39H40ClN5O7S MolecularWeight: 758.2822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NCCN(C(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)(C5=CC=CC=C5)O)OC)S(=O)(=O)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NCCN(C(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)(C5=CC=CC=C5)O)OC)S(=O)(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C39H40ClN5O7S/c1-26-23-35(32-25-29(40)10-16-33(32)42-26)41-19-22-45(53(49,50)31-13-11-30(51-2)12-14-31)38(47)43-34-15-9-27(24-36(34)52-3)37(46)44-20-17-39(48,18-21-44)28-7-5-4-6-8-28/h4-16,23-25,48H,17-22H2,1-3H3,(H,41,42)(H,43,47)