2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C26H34FN4O3S2+ MolecularWeight: 533.701563

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33FN4O3S2/c1-3-29(4-2)17-18-31(26-28-23-14-11-21(27)19-24(23)35-26)25(32)20-9-12-22(13-10-20)36(33,34)30-15-7-5-6-8-16-30/h9-14,19H,3-8,15-18H2,1-2H3/p+1