tert-butyl 4-[[5-(oxiran-2-ylmethoxy)-2-(2-phenylethanoyloxy)phenyl]sulfamoyl]butanoate

Systemtic Name: tert-butyl 4-[[5-(oxiran-2-ylmethoxy)-2-(2-phenylethanoyloxy)phenyl]sulfamoyl]butanoate Openeye Name: tert-butyl 4-[[5-(oxiran-2-ylmethoxy)-2-(2-phenylacetyl)oxy-phenyl]sulfamoyl]butanoate CAS Name: 4-[[5-(2-oxiranylmethoxy)-2-(1-oxo-2-phenylethoxy)phenyl]sulfamoyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(oxiran-2-ylmethoxy)-2-(2-phenylacetyl)oxyphenyl]sulfamoyl]butanoate Traditional Name: 4-[[5-glycidoxy-2-(2-phenylacetyl)oxy-phenyl]sulfamoyl]butyric acid tert-butyl ester Formula: C25H31NO8S MolecularWeight: 505.58054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCS(=O)(=O)NC1=C(C=CC(=C1)OCC2CO2)OC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CCCS(=O)(=O)NC1=C(C=CC(=C1)OCC2CO2)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO8S/c1-25(2,3)34-23(27)10-7-13-35(29,30)26-21-15-19(31-16-20-17-32-20)11-12-22(21)33-24(28)14-18-8-5-4-6-9-18/h4-6,8-9,11-12,15,20,26H,7,10,13-14,16-17H2,1-3H3