methyl 2-[[3-(butan-2-ylamino)-5-(phenylsulfamoyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(butan-2-ylamino)-5-(phenylsulfamoyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(phenylsulfamoyl)-5-(sec-butylamino)benzoyl]amino]acetate CAS Name: 2-[[[3-(butan-2-ylamino)-5-(phenylsulfamoyl)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(butan-2-ylamino)-5-(phenylsulfamoyl)benzoyl]amino]acetate Traditional Name: 2-[[3-(phenylsulfamoyl)-5-(sec-butylamino)benzoyl]amino]acetic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC(=CC(=C1)C(=O)NCC(=O)OC)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC1=CC(=CC(=C1)C(=O)NCC(=O)OC)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O5S/c1-4-14(2)22-17-10-15(20(25)21-13-19(24)28-3)11-18(12-17)29(26,27)23-16-8-6-5-7-9-16/h5-12,14,22-23H,4,13H2,1-3H3,(H,21,25)