N-[5-(2-benzothiophen-1-yl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[5-(2-benzothiophen-1-yl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[5-(2-benzothiophen-1-yl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[5-(2-benzothiophen-1-yl)-6-[2-[[5-(methylthio)-2-pyrimidinyl]oxy]ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[5-(2-benzothiophen-1-yl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide Traditional Name: 4-tert-butyl-N-[5-isobenzothiophen-1-yl-6-[2-[5-(methylthio)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]benzenesulfonamide Formula: C29H29N5O4S3 MolecularWeight: 607.76666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCOC3=NC=C(C=N3)SC)C4=C5C=CC=CC5=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCOC3=NC=C(C=N3)SC)C4=C5C=CC=CC5=CS4

InChI

InChI=1S/C29H29N5O4S3/c1-29(2,3)20-9-11-22(12-10-20)41(35,36)34-26-24(25-23-8-6-5-7-19(23)17-40-25)27(33-18-32-26)37-13-14-38-28-30-15-21(39-4)16-31-28/h5-12,15-18H,13-14H2,1-4H3,(H,32,33,34)