4-butoxy-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[4-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[4-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[4-[(4-methyl-6-morpholino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCOCC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCOCC4)C

InChI

InChI=1S/C25H31N5O4S/c1-3-4-15-34-22-9-11-23(12-10-22)35(31,32)29-21-7-5-20(6-8-21)27-25-26-19(2)18-24(28-25)30-13-16-33-17-14-30/h5-12,18,29H,3-4,13-17H2,1-2H3,(H,26,27,28)