2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-morpholinosulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-morpholinosulfonylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C22H26FN4O4S2+ MolecularWeight: 493.594643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25FN4O4S2/c1-25(2)10-11-27(22-24-20-18(23)4-3-5-19(20)32-22)21(28)16-6-8-17(9-7-16)33(29,30)26-12-14-31-15-13-26/h3-9H,10-15H2,1-2H3/p+1