4-(furan-2-ylmethylsulfamoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-(furan-2-ylmethylsulfamoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-(2-furylmethylsulfamoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 4-(2-furanylmethylsulfamoyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 4-(furan-2-ylmethylsulfamoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-(2-furfurylsulfamoyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-17-6-2-3-13-24(17)14-5-12-22-21(25)18-8-10-20(11-9-18)29(26,27)23-16-19-7-4-15-28-19/h4,7-11,15,17,23H,2-3,5-6,12-14,16H2,1H3,(H,22,25)/p+1/t17-/m0/s1