N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]oxyethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]oxyethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]oxyethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(methylthio)-4-pyrimidinyl]oxy]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]oxyethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(methylthio)pyrimidin-4-yl]oxyethyl]-4-methyl-benzenesulfonamide Formula: C31H36N4O7S3 MolecularWeight: 672.83514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=C2OC3=CC=CC=C3OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC(=NC(=C2OC3=CC=CC=C3OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)SC

InChI

InChI=1S/C31H36N4O7S3/c1-21-11-15-23(16-12-21)44(36,37)32-19-20-41-29-27(42-26-10-8-7-9-25(26)40-5)28(33-30(34-29)43-6)35-45(38,39)24-17-13-22(14-18-24)31(2,3)4/h7-18,32H,19-20H2,1-6H3,(H,33,34,35)