N-[3-[2,3-bis(oxidanyl)propoxy]-5-cyano-2-(2-methoxyphenoxy)phenyl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[3-[2,3-bis(oxidanyl)propoxy]-5-cyano-2-(2-methoxyphenoxy)phenyl]-4-tert-butyl-benzenesulfonamide Openeye Name: 4-tert-butyl-N-[5-cyano-3-(2,3-dihydroxypropoxy)-2-(2-methoxyphenoxy)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-cyano-3-(2,3-dihydroxypropoxy)-2-(2-methoxyphenoxy)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-cyano-3-(2,3-dihydroxypropoxy)-2-(2-methoxyphenoxy)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[5-cyano-3-glyceryloxy-2-(2-methoxyphenoxy)phenyl]benzenesulfonamide Formula: C27H30N2O7S MolecularWeight: 526.6013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C#N)OCC(CO)O)OC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C#N)OCC(CO)O)OC3=CC=CC=C3OC

InChI

InChI=1S/C27H30N2O7S/c1-27(2,3)19-9-11-21(12-10-19)37(32,33)29-22-13-18(15-28)14-25(35-17-20(31)16-30)26(22)36-24-8-6-5-7-23(24)34-4/h5-14,20,29-31H,16-17H2,1-4H3