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

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one Openeye Name: 4-[3-(2,4-dichlorophenyl)-5,6-dimethoxy-1-(p-tolylsulfonyl)indol-2-yl]butan-2-one CAS Name: 4-[3-(2,4-dichlorophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-2-indolyl]-2-butanone IUPAC Name: 4-[3-(2,4-dichlorophenyl)-5,6-dimethoxy-1-(4-methylphenyl)sulfonylindol-2-yl]butan-2-one Traditional Name: 4-[3-(2,4-dichlorophenyl)-5,6-dimethoxy-1-tosyl-indol-2-yl]butan-2-one Formula: C27H25Cl2NO5S MolecularWeight: 546.4621

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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=C(C=C(C=C4)Cl)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25Cl2NO5S/c1-16-5-9-19(10-6-16)36(32,33)30-23(12-7-17(2)31)27(20-11-8-18(28)13-22(20)29)21-14-25(34-3)26(35-4)15-24(21)30/h5-6,8-11,13-15H,7,12H2,1-4H3