4-tert-butyl-3-(4-methylphenyl)-6-(2-methylsulfanylpyrimidin-4-yl)-2-(2-phenylmethoxyethoxy)benzenesulfonamide

Systemtic Name: 4-tert-butyl-3-(4-methylphenyl)-6-(2-methylsulfanylpyrimidin-4-yl)-2-(2-phenylmethoxyethoxy)benzenesulfonamide Openeye Name: 2-(2-benzyloxyethoxy)-4-tert-butyl-6-(2-methylsulfanylpyrimidin-4-yl)-3-(p-tolyl)benzenesulfonamide CAS Name: 4-tert-butyl-3-(4-methylphenyl)-6-[2-(methylthio)-4-pyrimidinyl]-2-(2-phenylmethoxyethoxy)benzenesulfonamide IUPAC Name: 4-tert-butyl-3-(4-methylphenyl)-6-(2-methylsulfanylpyrimidin-4-yl)-2-(2-phenylmethoxyethoxy)benzenesulfonamide Traditional Name: 2-(2-benzoxyethoxy)-4-tert-butyl-6-[2-(methylthio)pyrimidin-4-yl]-3-(p-tolyl)benzenesulfonamide Formula: C31H35N3O4S2 MolecularWeight: 577.7573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=C2OCCOCC3=CC=CC=C3)S(=O)(=O)N)C4=NC(=NC=C4)SC)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=C2OCCOCC3=CC=CC=C3)S(=O)(=O)N)C4=NC(=NC=C4)SC)C(C)(C)C

InChI

InChI=1S/C31H35N3O4S2/c1-21-11-13-23(14-12-21)27-25(31(2,3)4)19-24(26-15-16-33-30(34-26)39-5)29(40(32,35)36)28(27)38-18-17-37-20-22-9-7-6-8-10-22/h6-16,19H,17-18,20H2,1-5H3,(H2,32,35,36)