4-tert-butyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylphenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]phenyl]benzenesulfonamide Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C4=NC(=CC(=N4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C4=NC(=CC(=N4)OC)OC

InChI

InChI=1S/C29H31N3O4S2/c1-29(2,3)21-11-17-24(18-12-21)38(33,34)32-22-13-15-23(16-14-22)37-27(20-9-7-6-8-10-20)28-30-25(35-4)19-26(31-28)36-5/h6-19,27,32H,1-5H3