phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(tert-butylsulfamoyl)anilino]-4-keto-butyric acid phenethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-22(2,3)24-30(27,28)19-11-9-18(10-12-19)23-20(25)13-14-21(26)29-16-15-17-7-5-4-6-8-17/h4-12,24H,13-16H2,1-3H3,(H,23,25)