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

Systemtic Name: (phenylmethyl) 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate Openeye Name: benzyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid benzyl ester Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O6S/c1-3-5-17-30-26-19-24(29(32)36-21-23-13-9-7-10-14-23)20-27(28(26)37-25-15-11-8-12-16-25)38(33,34)31-22-35-18-6-4-2/h7-16,19-20,30-31H,3-6,17-18,21-22H2,1-2H3