N-(2-azanylethyl)-4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrimidin-2-yl]amino]-N-piperidin-4-yl-benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrimidin-2-yl]amino]-N-piperidin-4-yl-benzenesulfonamide Openeye Name: N-(2-aminoethyl)-4-[[4-(3-chloro-4-fluoro-anilino)pyrimidin-2-yl]amino]-N-(4-piperidyl)benzenesulfonamide CAS Name: N-(2-aminoethyl)-4-[[4-(3-chloro-4-fluoroanilino)-2-pyrimidinyl]amino]-N-(4-piperidinyl)benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-4-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzenesulfonamide Traditional Name: N-(2-aminoethyl)-4-[[4-(3-chloro-4-fluoro-anilino)pyrimidin-2-yl]amino]-N-(4-piperidyl)benzenesulfonamide Formula: C23H27ClFN7O2S MolecularWeight: 520.022583

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CCN)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CNCCC1N(CCN)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H27ClFN7O2S/c24-20-15-17(3-6-21(20)25)29-22-9-13-28-23(31-22)30-16-1-4-19(5-2-16)35(33,34)32(14-10-26)18-7-11-27-12-8-18/h1-6,9,13,15,18,27H,7-8,10-12,14,26H2,(H2,28,29,30,31)