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

Systemtic Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-(4-phenoxybut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-(4-phenoxybut-2-ynoxy)-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-(4-phenoxybut-2-ynoxy)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-(4-phenoxybut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-(4-phenoxybut-2-ynoxy)-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OCC#CCOC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCC#CCOC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H31N3O4S/c1-23-12-14-24(15-13-23)28-29(34-39(35,36)27-18-16-25(17-19-27)31(2,3)4)32-22-33-30(28)38-21-9-8-20-37-26-10-6-5-7-11-26/h5-7,10-19,22H,20-21H2,1-4H3,(H,32,33,34)