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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-mesylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O4S2+ MolecularWeight: 448.57884

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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)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)C

InChI

InChI=1S/C21H25N3O4S2/c1-5-28-16-8-11-18-19(14-16)29-21(22-18)24(13-12-23(2)3)20(25)15-6-9-17(10-7-15)30(4,26)27/h6-11,14H,5,12-13H2,1-4H3/p+1