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

Systemtic Name: 2-[[5-chloranyl-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide IUPAC Name: 2-[[5-chloro-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 2-[[5-chloro-2-[2-ethoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Formula: C25H31ClN6O4S MolecularWeight: 547.06944

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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)NC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN6O4S/c1-4-35-22-15-18(36-17-11-13-32(3)14-12-17)9-10-20(22)30-25-28-16-19(26)24(31-25)29-21-7-5-6-8-23(21)37(33,34)27-2/h5-10,15-17,27H,4,11-14H2,1-3H3,(H2,28,29,30,31)