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

Systemtic Name: 2-[[4-(dimethylsulfamoyl)phenyl]carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylsulfamoyl)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H27N4O3S2+ MolecularWeight: 447.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H26N4O3S2/c1-15-6-11-18-19(14-15)29-21(22-18)25(13-12-23(2)3)20(26)16-7-9-17(10-8-16)30(27,28)24(4)5/h6-11,14H,12-13H2,1-5H3/p+1