N-[4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanamide Openeye Name: N-[4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]sulfonylacetamide CAS Name: N-[4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylacetamide Traditional Name: N-[4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]sulfonylacetamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N6O3S/c1-14(28)27-31(29,30)18-8-6-16(7-9-18)25-21-22-11-10-20(26-21)24-17-12-15-4-2-3-5-19(15)23-13-17/h2-13H,1H3,(H,27,28)(H2,22,24,25,26)