4-[[5-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide

Systemtic Name: 4-[[5-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[[5-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]-2-pyrimidinyl]amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-[4-(2-hydroxyethyl)piperazino]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C21H29N7O4S MolecularWeight: 475.56446

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCN(CC3)CCO)C#N

Isomeric SMILES

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCN(CC3)CCO)C#N

InChI

InChI=1S/C21H29N7O4S/c1-32-14-2-7-24-33(30,31)19-5-3-18(4-6-19)25-21-23-16-17(15-22)20(26-21)28-10-8-27(9-11-28)12-13-29/h3-6,16,24,29H,2,7-14H2,1H3,(H,23,25,26)