N-(2-bromanyl-4-methyl-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)Br

InChI

InChI=1S/C15H22BrN3O3S/c1-12-4-5-14(13(16)10-12)17-15(20)11-18-6-3-7-19(9-8-18)23(2,21)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)/p+1