4-tert-butyl-N-[5-(4-methylphenyl)-6-(4-oxidanylbut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-(4-oxidanylbut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-(4-hydroxybut-2-ynoxy)-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-(4-hydroxybut-2-ynoxy)-5-(4-methylphenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-(4-hydroxybut-2-ynoxy)-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-(4-hydroxybut-2-ynoxy)-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OCC#CCO)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCC#CCO)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27N3O4S/c1-18-7-9-19(10-8-18)22-23(26-17-27-24(22)32-16-6-5-15-29)28-33(30,31)21-13-11-20(12-14-21)25(2,3)4/h7-14,17,29H,15-16H2,1-4H3,(H,26,27,28)