4-[3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one

Systemtic Name: 4-[3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one Openeye Name: 4-[3-(4-bromophenyl)-1-(p-tolylsulfonyl)indol-2-yl]butan-2-one CAS Name: 4-[3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-2-indolyl]-2-butanone IUPAC Name: 4-[3-(4-bromophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]butan-2-one Traditional Name: 4-[3-(4-bromophenyl)-1-tosyl-indol-2-yl]butan-2-one Formula: C25H22BrNO3S MolecularWeight: 496.41608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CCC(=O)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CCC(=O)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrNO3S/c1-17-7-14-21(15-8-17)31(29,30)27-23-6-4-3-5-22(23)25(24(27)16-9-18(2)28)19-10-12-20(26)13-11-19/h3-8,10-15H,9,16H2,1-2H3