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

Systemtic Name: 2-[[5-chloranyl-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 2-[[5-chloro-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C28H37ClN6O4S MolecularWeight: 589.14918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC2CCN(CC2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NCC(C)C)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC2CCN(CC2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NCC(C)C)Cl

InChI

InChI=1S/C28H37ClN6O4S/c1-5-38-25-16-21(39-20-12-14-35(4)15-13-20)10-11-23(25)33-28-30-18-22(29)27(34-28)32-24-8-6-7-9-26(24)40(36,37)31-17-19(2)3/h6-11,16,18-20,31H,5,12-15,17H2,1-4H3,(H2,30,32,33,34)