4-[[4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]-N-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 4-[[4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]-N-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-(4-piperidyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-[[4-(4-fluoroanilino)-2-pyrimidinyl]amino]-N-(4-piperidinyl)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-(4-piperidyl)-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C27H34FN7O2S MolecularWeight: 539.667963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)CCN(C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H34FN7O2S/c28-21-3-5-22(6-4-21)31-26-13-16-30-27(33-26)32-23-7-9-25(10-8-23)38(36,37)35(24-11-14-29-15-12-24)20-19-34-17-1-2-18-34/h3-10,13,16,24,29H,1-2,11-12,14-15,17-20H2,(H2,30,31,32,33)