N-[3-methyl-4-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]ethanamide

Systemtic Name: N-[3-methyl-4-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]ethanamide Openeye Name: N-[3-methyl-4-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]acetamide CAS Name: N-[3-methyl-4-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methylsulfamoyl]phenyl]acetamide IUPAC Name: N-[3-methyl-4-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]acetamide Traditional Name: N-[3-methyl-4-[[1-(2-thenyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

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