methyl 2-[6-acetamido-2-[4-(dimethylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[4-(dimethylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[4-(dimethylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[4-(dimethylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(dimethylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)S2)CC(=O)OC

InChI

InChI=1S/C21H22N4O6S2/c1-13(26)22-15-7-10-17-18(11-15)32-21(25(17)12-19(27)31-4)23-20(28)14-5-8-16(9-6-14)33(29,30)24(2)3/h5-11H,12H2,1-4H3,(H,22,26)