6-(4-methoxyphenoxy)-3-[[1-oxidanylidene-3-phenyl-1-(2-sulfamoylethylamino)propan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-(4-methoxyphenoxy)-3-[[1-oxidanylidene-3-phenyl-1-(2-sulfamoylethylamino)propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 3-[[1-benzyl-2-oxo-2-(2-sulfamoylethylamino)ethyl]carbamoyl]-6-(4-methoxyphenoxy)hexanoic acid CAS Name: 6-(4-methoxyphenoxy)-3-[oxo-[[1-oxo-3-phenyl-1-(2-sulfamoylethylamino)propan-2-yl]amino]methyl]hexanoic acid IUPAC Name: 6-(4-methoxyphenoxy)-3-[[1-oxo-3-phenyl-1-(2-sulfamoylethylamino)propan-2-yl]carbamoyl]hexanoic acid Traditional Name: 3-[[1-benzyl-2-keto-2-(2-sulfamoylethylamino)ethyl]carbamoyl]-6-(4-methoxyphenoxy)hexanoic acid Formula: C25H33N3O8S MolecularWeight: 535.60982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCS(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCS(=O)(=O)N

InChI

InChI=1S/C25H33N3O8S/c1-35-20-9-11-21(12-10-20)36-14-5-8-19(17-23(29)30)24(31)28-22(16-18-6-3-2-4-7-18)25(32)27-13-15-37(26,33)34/h2-4,6-7,9-12,19,22H,5,8,13-17H2,1H3,(H,27,32)(H,28,31)(H,29,30)(H2,26,33,34)