4-[3-(3-bromophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one

Systemtic Name: 4-[3-(3-bromophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one Openeye Name: 4-[3-(3-bromophenyl)-5,6-dimethoxy-1-(p-tolylsulfonyl)indol-2-yl]butan-2-one CAS Name: 4-[3-(3-bromophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-2-indolyl]-2-butanone IUPAC Name: 4-[3-(3-bromophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonylindol-2-yl]butan-2-one Traditional Name: 4-[3-(3-bromophenyl)-5,6-dimethoxy-1-tosyl-indol-2-yl]butan-2-one Formula: C27H26BrNO5S MolecularWeight: 556.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrNO5S/c1-17-8-11-21(12-9-17)35(31,32)29-23(13-10-18(2)30)27(19-6-5-7-20(28)14-19)22-15-25(33-3)26(34-4)16-24(22)29/h5-9,11-12,14-16H,10,13H2,1-4H3