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

Systemtic Name: (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-indol-2-yl]but-3-en-2-one Openeye Name: (E)-4-[5,6-dimethoxy-3-methyl-1-(p-tolylsulfonyl)indol-2-yl]but-3-en-2-one CAS Name: (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-2-indolyl]-3-buten-2-one IUPAC Name: (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]but-3-en-2-one Traditional Name: (E)-4-(5,6-dimethoxy-3-methyl-1-tosyl-indol-2-yl)but-3-en-2-one Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C2C=CC(=O)C)C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C2/C=C/C(=O)C)C)OC)OC

InChI

InChI=1S/C22H23NO5S/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/h6-13H,1-5H3/b11-8+