2-bromanyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-5-sulfamoyl-benzamide

Systemtic Name: 2-bromanyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-5-sulfamoyl-benzamide Openeye Name: 2-bromo-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-5-sulfamoyl-benzamide CAS Name: 2-bromo-N-[(2R)-4-methyl-2-(4-morpholin-4-iumyl)pentyl]-5-sulfamoylbenzamide IUPAC Name: 2-bromo-N-[(2R)-4-methyl-2-morpholin-4-ium-4-ylpentyl]-5-sulfamoylbenzamide Traditional Name: 2-bromo-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-5-sulfamoyl-benzamide Formula: C17H27BrN3O4S+ MolecularWeight: 449.38298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br)[NH+]2CCOCC2

Isomeric SMILES

CC(C)C[C@H](CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br)[NH+]2CCOCC2

InChI

InChI=1S/C17H26BrN3O4S/c1-12(2)9-13(21-5-7-25-8-6-21)11-20-17(22)15-10-14(26(19,23)24)3-4-16(15)18/h3-4,10,12-13H,5-9,11H2,1-2H3,(H,20,22)(H2,19,23,24)/p+1/t13-/m1/s1