3-(prop-2-ynylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(prop-2-ynylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(prop-2-ynylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(prop-2-ynylsulfamoyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(prop-2-ynylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(propargylsulfamoyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H25N3O3S/c1-2-12-24-29(27,28)21-7-5-6-20(15-21)22(26)23-16-18-8-10-19(11-9-18)17-25-13-3-4-14-25/h1,5-11,15,24H,3-4,12-14,16-17H2,(H,23,26)/p+1