2-[[5-chloranyl-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzenesulfonamide

Systemtic Name: 2-[[5-chloranyl-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzenesulfonamide Openeye Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-(1-ethylpropyl)benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]amino]-N-pentan-3-ylbenzenesulfonamide IUPAC Name: 2-[[5-chloro-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-N-pentan-3-ylbenzenesulfonamide Traditional Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-(1-ethylpropyl)benzenesulfonamide Formula: C29H39ClN6O4S MolecularWeight: 603.17576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)OC4CCN(CC4)C)OCC

Isomeric SMILES

CCC(CC)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)OC4CCN(CC4)C)OCC

InChI

InChI=1S/C29H39ClN6O4S/c1-5-20(6-2)35-41(37,38)27-11-9-8-10-25(27)32-28-23(30)19-31-29(34-28)33-24-13-12-22(18-26(24)39-7-3)40-21-14-16-36(4)17-15-21/h8-13,18-21,35H,5-7,14-17H2,1-4H3,(H2,31,32,33,34)