3-[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoylamino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoylamino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[[2-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[[2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C22H27N6O4S2+ MolecularWeight: 503.61758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC(=O)NCCC(=O)NC2=NN=C(S2)S(=O)(=O)N)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC(=O)NCCC(=O)NC2=NN=C(S2)S(=O)(=O)N)CC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N6O4S2/c1-3-17-12-16(15-8-6-5-7-9-15)13-18(4-2)28(17)14-20(30)24-11-10-19(29)25-21-26-27-22(33-21)34(23,31)32/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H3-,23,24,25,26,29,30,31,32)/p+1