3-[(3-ethylsulfonylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethylsulfonylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-ethylsulfonylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-ethylsulfonylphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-ethylsulfonylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-esylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3O3S2+ MolecularWeight: 450.569903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S2/c1-4-30(27,28)17-8-5-7-15(13-17)20(26)25(12-6-11-24(2)3)21-23-18-10-9-16(22)14-19(18)29-21/h5,7-10,13-14H,4,6,11-12H2,1-3H3/p+1