4-tert-butyl-6-(4-methanoylpiperazin-1-yl)-3-(2-methoxyphenoxy)-2-(3-oxidanylpropoxy)-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-tert-butyl-6-(4-methanoylpiperazin-1-yl)-3-(2-methoxyphenoxy)-2-(3-oxidanylpropoxy)-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-tert-butyl-6-(4-formylpiperazin-1-yl)-2-(3-hydroxypropoxy)-3-(2-methoxyphenoxy)-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-tert-butyl-6-(4-formyl-1-piperazinyl)-2-(3-hydroxypropoxy)-3-(2-methoxyphenoxy)-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-tert-butyl-6-(4-formylpiperazin-1-yl)-2-(3-hydroxypropoxy)-3-(2-methoxyphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-tert-butyl-6-(4-formylpiperazino)-2-(3-hydroxypropoxy)-3-(2-methoxyphenoxy)-N-(4-pyrimidyl)benzenesulfonamide Formula: C29H37N5O7S MolecularWeight: 599.69838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1OC2=CC=CC=C2OC)OCCCO)S(=O)(=O)NC3=NC=NC=C3)N4CCN(CC4)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1OC2=CC=CC=C2OC)OCCCO)S(=O)(=O)NC3=NC=NC=C3)N4CCN(CC4)C=O

InChI

InChI=1S/C29H37N5O7S/c1-29(2,3)21-18-22(34-14-12-33(20-36)13-15-34)28(42(37,38)32-25-10-11-30-19-31-25)27(40-17-7-16-35)26(21)41-24-9-6-5-8-23(24)39-4/h5-6,8-11,18-20,35H,7,12-17H2,1-4H3,(H,30,31,32)