1-[4,6,7-trimethoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethane-1,2-diol

Systemtic Name: 1-[4,6,7-trimethoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethane-1,2-diol Openeye Name: 1-[4,6,7-trimethoxy-1-(p-tolylsulfonyl)indol-3-yl]ethane-1,2-diol CAS Name: 1-[4,6,7-trimethoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]ethane-1,2-diol IUPAC Name: 1-[4,6,7-trimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethane-1,2-diol Traditional Name: 1-(4,6,7-trimethoxy-1-tosyl-indol-3-yl)ethane-1,2-diol Formula: C20H23NO7S MolecularWeight: 421.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=C(C=C3OC)OC)OC)C(CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=C(C=C3OC)OC)OC)C(CO)O

InChI

InChI=1S/C20H23NO7S/c1-12-5-7-13(8-6-12)29(24,25)21-10-14(15(23)11-22)18-16(26-2)9-17(27-3)20(28-4)19(18)21/h5-10,15,22-23H,11H2,1-4H3