N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[4-(2-methylthiazol-4-yl)benzyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-13-24-18(12-31-13)15-4-2-14(3-5-15)11-23-20(26)8-9-22-17-7-6-16(32(21,29)30)10-19(17)25(27)28/h2-7,10,12,22H,8-9,11H2,1H3,(H,23,26)(H2,21,29,30)