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

Systemtic Name: (diphenylmethyl) 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate Openeye Name: benzhydryl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid benzhydryl ester Formula: C35H40N2O6S MolecularWeight: 616.7669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)NCOCCCC)OC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)NCOCCCC)OC4=CC=CC=C4

InChI

InChI=1S/C35H40N2O6S/c1-3-5-22-36-31-24-29(35(38)43-33(27-16-10-7-11-17-27)28-18-12-8-13-19-28)25-32(34(31)42-30-20-14-9-15-21-30)44(39,40)37-26-41-23-6-4-2/h7-21,24-25,33,36-37H,3-6,22-23,26H2,1-2H3