2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(dimethylsulfamoyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(dimethylsulfamoyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(dimethylsulfamoyl)benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(dimethylsulfamoyl)benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(dimethylsulfamoyl)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H29N4O5S2+ MolecularWeight: 493.61946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H28N4O5S2/c1-24(2)13-14-26(21(27)15-7-9-16(10-8-15)33(28,29)25(3)4)22-23-19-17(30-5)11-12-18(31-6)20(19)32-22/h7-12H,13-14H2,1-6H3/p+1