4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27N5O3S/c1-27(2)32(30,31)18-12-10-17(11-13-18)23(29)26-22-19-8-4-5-9-20(19)24-21(25-22)16-28-14-6-3-7-15-28/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,24,25,26,29)/p+1