(E)-3-(1-methylsulfonylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylsulfonylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-methylsulfonylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-methylsulfonyl-3-indolyl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-methylsulfonylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-mesylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CN(C3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=CN(C3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C21H21NO6S/c1-26-19-11-15(12-20(27-2)21(19)28-3)18(23)10-9-14-13-22(29(4,24)25)17-8-6-5-7-16(14)17/h5-13H,1-4H3/b10-9+