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

Systemtic Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[(2-methylsulfonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-mesylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-14-10-11-15(2)19-18(14)22-21(28-19)24(13-12-23(3)4)20(25)16-8-6-7-9-17(16)29(5,26)27/h6-11H,12-13H2,1-5H3/p+1