N-[4-[(phenylmethyl)-pyridin-1-ium-2-yl-sulfamoyl]phenyl]ethanamide

Systemtic Name: N-[4-[(phenylmethyl)-pyridin-1-ium-2-yl-sulfamoyl]phenyl]ethanamide Openeye Name: N-[4-[benzyl(pyridin-1-ium-2-yl)sulfamoyl]phenyl]acetamide CAS Name: N-[4-[(phenylmethyl)-(2-pyridin-1-iumyl)sulfamoyl]phenyl]acetamide IUPAC Name: N-[4-[benzyl(pyridin-1-ium-2-yl)sulfamoyl]phenyl]acetamide Traditional Name: N-[4-[benzyl(pyridin-1-ium-2-yl)sulfamoyl]phenyl]acetamide Formula: C20H20N3O3S+ MolecularWeight: 382.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H19N3O3S/c1-16(24)22-18-10-12-19(13-11-18)27(25,26)23(20-9-5-6-14-21-20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,24)/p+1