methyl (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)prop-2-ene-1-sulfonate

Systemtic Name: methyl (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)prop-2-ene-1-sulfonate Openeye Name: methyl (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)prop-2-ene-1-sulfonate CAS Name: (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)-2-propene-1-sulfonic acid methyl ester IUPAC Name: methyl (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)prop-2-ene-1-sulfonate Traditional Name: (E)-2-(6-methoxy-2-methyl-3H-inden-1-yl)-3-(4-sulfamoylphenyl)prop-2-ene-1-sulfonic acid methyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1)C=CC(=C2)OC)C(=CC3=CC=C(C=C3)S(=O)(=O)N)CS(=O)(=O)OC

Isomeric SMILES

CC1=C(C2=C(C1)C=CC(=C2)OC)/C(=C\C3=CC=C(C=C3)S(=O)(=O)N)/CS(=O)(=O)OC

InChI

InChI=1S/C21H23NO6S2/c1-14-10-16-6-7-18(27-2)12-20(16)21(14)17(13-29(23,24)28-3)11-15-4-8-19(9-5-15)30(22,25)26/h4-9,11-12H,10,13H2,1-3H3,(H2,22,25,26)/b17-11-