3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[(2-bromo-5-methyl-phenyl)sulfamoyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[(2-bromo-5-methyl-phenyl)sulfamoyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H28BrN3O3S/c1-15(2)26-11-9-18(10-12-26)24-22(27)17-5-4-6-19(14-17)30(28,29)25-21-13-16(3)7-8-20(21)23/h4-8,13-15,18,25H,9-12H2,1-3H3,(H,24,27)/p+1