1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)propan-1-one Openeye Name: 1-(4-bromophenyl)-3-(4-propoxyphenyl)-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)propan-1-one Traditional Name: 1-(4-bromophenyl)-3-(4-propoxyphenyl)-3-tosyl-propan-1-one Formula: C25H25BrO4S MolecularWeight: 501.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25BrO4S/c1-3-16-30-22-12-8-20(9-13-22)25(17-24(27)19-6-10-21(26)11-7-19)31(28,29)23-14-4-18(2)5-15-23/h4-15,25H,3,16-17H2,1-2H3