N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-methyl-3-[6-(piperazin-1-ylmethyl)pyrimidin-4-yl]oxy-benzamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-methyl-3-[6-(piperazin-1-ylmethyl)pyrimidin-4-yl]oxy-benzamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-methyl-3-[6-(piperazin-1-ylmethyl)pyrimidin-4-yl]oxy-benzamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[[6-(1-piperazinylmethyl)-4-pyrimidinyl]oxy]benzamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[6-(piperazin-1-ylmethyl)pyrimidin-4-yl]oxybenzamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-methyl-3-[6-(piperazinomethyl)pyrimidin-4-yl]oxy-benzamide Formula: C29H38N6O5S MolecularWeight: 582.71422

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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)CN4CCNCC4

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)CN4CCNCC4

InChI

InChI=1S/C29H38N6O5S/c1-19-7-8-20(13-25(19)40-26-16-22(31-18-32-26)17-35-11-9-30-10-12-35)28(36)33-23-14-21(29(2,3)4)15-24(27(23)39-5)34-41(6,37)38/h7-8,13-16,18,30,34H,9-12,17H2,1-6H3,(H,33,36)