2-[4-bromanyl-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-bromanyl-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]-N-tert-butyl-acetamide Formula: C21H28BrN3O4S MolecularWeight: 498.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H28BrN3O4S/c1-21(2,3)25-20(26)14-29-19-9-6-17(22)12-16(19)13-24-11-10-15-4-7-18(8-5-15)30(23,27)28/h4-9,12,24H,10-11,13-14H2,1-3H3,(H,25,26)(H2,23,27,28)