3-[(4-bromophenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[(4-bromophenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[(4-bromophenyl)sulfamoyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[(4-bromophenyl)sulfamoyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(4-bromophenyl)sulfamoyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[(4-bromophenyl)sulfamoyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-15(2)25-12-10-18(11-13-25)23-21(26)16-4-3-5-20(14-16)29(27,28)24-19-8-6-17(22)7-9-19/h3-9,14-15,18,24H,10-13H2,1-2H3,(H,23,26)/p+1