N-[4-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methylsulfamoyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methylsulfamoyl]phenyl]-2-methyl-propionamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-16(2)21(25)23-18-5-7-20(8-6-18)29(26,27)22-14-17-9-11-24(12-10-17)15-19-4-3-13-28-19/h3-8,13,16-17,22H,9-12,14-15H2,1-2H3,(H,23,25)/p+1