4-(ethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(ethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(ethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(ethylsulfamoyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(ethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(ethylsulfamoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-2-24-29(27,28)21-12-10-20(11-13-21)22(26)23-16-18-6-8-19(9-7-18)17-25-14-4-3-5-15-25/h6-13,24H,2-5,14-17H2,1H3,(H,23,26)/p+1