1-[4-[[5-chloranyl-4-[(2-propylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[[5-chloranyl-4-[(2-propylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-[[5-chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-[[5-chloro-4-(2-propylsulfonylanilino)-2-pyrimidinyl]amino]-3-ethoxyphenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[5-chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxyphenyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[5-chloro-4-(2-propylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]isonipecotamide Formula: C27H33ClN6O4S MolecularWeight: 573.10672

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OCC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OCC

InChI

InChI=1S/C27H33ClN6O4S/c1-3-15-39(36,37)24-8-6-5-7-22(24)31-26-20(28)17-30-27(33-26)32-21-10-9-19(16-23(21)38-4-2)34-13-11-18(12-14-34)25(29)35/h5-10,16-18H,3-4,11-15H2,1-2H3,(H2,29,35)(H2,30,31,32,33)