N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-(2-thienylmethylsulfamoyl)benzamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-(2-thenylsulfamoyl)benzamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-15(2)23-10-8-17(9-11-23)22-20(24)16-5-3-7-19(13-16)28(25,26)21-14-18-6-4-12-27-18/h3-7,12-13,15,17,21H,8-11,14H2,1-2H3,(H,22,24)/p+1