N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-methyl-3-[2-[(3-oxidanylidenepiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-benzamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-methyl-3-[2-[(3-oxidanylidenepiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-benzamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-methyl-3-[2-[(3-oxopiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-benzamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[[2-[(3-oxo-1-piperazinyl)methyl]-4-pyrimidinyl]oxy]benzamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[2-[(3-oxopiperazin-1-yl)methyl]pyrimidin-4-yl]oxybenzamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-3-[2-[(3-ketopiperazino)methyl]pyrimidin-4-yl]oxy-4-methyl-benzamide Formula: C29H36N6O6S MolecularWeight: 596.69774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)OC3=NC(=NC=C3)CN4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)OC3=NC(=NC=C3)CN4CCNC(=O)C4

InChI

InChI=1S/C29H36N6O6S/c1-18-7-8-19(13-23(18)41-26-9-10-30-24(33-26)16-35-12-11-31-25(36)17-35)28(37)32-21-14-20(29(2,3)4)15-22(27(21)40-5)34-42(6,38)39/h7-10,13-15,34H,11-12,16-17H2,1-6H3,(H,31,36)(H,32,37)