2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(4-methylthiazol-2-yl)acetamide Formula: C17H22FN4O3S2+ MolecularWeight: 413.509983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O3S2/c1-13-12-26-17(19-13)20-16(23)11-21-7-2-8-22(10-9-21)27(24,25)15-5-3-14(18)4-6-15/h3-6,12H,2,7-11H2,1H3,(H,19,20,23)/p+1