tert-butyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate

Systemtic Name: tert-butyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate Openeye Name: tert-butyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid tert-butyl ester Formula: C26H38N2O6S MolecularWeight: 506.65472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC(C)(C)C)S(=O)(=O)NCOCCCC)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC(C)(C)C)S(=O)(=O)NCOCCCC)OC2=CC=CC=C2

InChI

InChI=1S/C26H38N2O6S/c1-6-8-15-27-22-17-20(25(29)34-26(3,4)5)18-23(24(22)33-21-13-11-10-12-14-21)35(30,31)28-19-32-16-9-7-2/h10-14,17-18,27-28H,6-9,15-16,19H2,1-5H3