2-[[4-(dimethylsulfamoyl)phenyl]carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(dimethylsulfamoyl)phenyl]carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H28N4O4S2/c1-6-30-17-9-12-19-20(15-17)31-22(23-19)26(14-13-24(2)3)21(27)16-7-10-18(11-8-16)32(28,29)25(4)5/h7-12,15H,6,13-14H2,1-5H3/p+1