(phenylmethyl) 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate

Systemtic Name: (phenylmethyl) 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate Openeye Name: benzyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoic acid benzyl ester Formula: C35H48N2O6S MolecularWeight: 624.83042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C35H48N2O6S/c1-3-5-7-8-9-10-11-18-24-41-28-37-44(39,40)33-26-30(35(38)42-27-29-19-14-12-15-20-29)25-32(36-23-6-4-2)34(33)43-31-21-16-13-17-22-31/h12-17,19-22,25-26,36-37H,3-11,18,23-24,27-28H2,1-2H3