4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-[2-hydroxy-3-(1-piperidyl)propyl]benzenesulfonamide CAS Name: 4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]-N-[2-hydroxy-3-(1-piperidinyl)propyl]benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-hydroxy-3-piperidin-1-ylpropyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(2-hydroxy-3-piperidino-propyl)benzenesulfonamide Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC(CN3CCCCC3)O

Isomeric SMILES

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC(CN3CCCCC3)O

InChI

InChI=1S/C21H29N7O3S/c1-2-23-20-16(12-22)13-24-21(27-20)26-17-6-8-19(9-7-17)32(30,31)25-14-18(29)15-28-10-4-3-5-11-28/h6-9,13,18,25,29H,2-5,10-11,14-15H2,1H3,(H2,23,24,26,27)