methyl 2-[[3-(phenylsulfamoyl)-5-(thiophen-3-ylmethylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(phenylsulfamoyl)-5-(thiophen-3-ylmethylamino)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(phenylsulfamoyl)-5-(3-thienylmethylamino)benzoyl]amino]acetate CAS Name: 2-[[oxo-[3-(phenylsulfamoyl)-5-(3-thiophenylmethylamino)phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(phenylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzoyl]amino]acetate Traditional Name: 2-[[3-(phenylsulfamoyl)-5-(3-thenylamino)benzoyl]amino]acetic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2)NCC3=CSC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2)NCC3=CSC=C3

InChI

InChI=1S/C21H21N3O5S2/c1-29-20(25)13-23-21(26)16-9-18(22-12-15-7-8-30-14-15)11-19(10-16)31(27,28)24-17-5-3-2-4-6-17/h2-11,14,22,24H,12-13H2,1H3,(H,23,26)