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

Systemtic Name: 4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-indol-2-yl]butan-2-one Openeye Name: 4-[5,6-dimethoxy-3-methyl-1-(p-tolylsulfonyl)indol-2-yl]butan-2-one CAS Name: 4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-2-indolyl]-2-butanone IUPAC Name: 4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]butan-2-one Traditional Name: 4-(5,6-dimethoxy-3-methyl-1-tosyl-indol-2-yl)butan-2-one Formula: C22H25NO5S MolecularWeight: 415.5026

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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)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-14-6-9-17(10-7-14)29(25,26)23-19(11-8-15(2)24)16(3)18-12-21(27-4)22(28-5)13-20(18)23/h6-7,9-10,12-13H,8,11H2,1-5H3