S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 2-pyridin-1-ium-1-ylethanethioate

Systemtic Name: S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 2-pyridin-1-ium-1-ylethanethioate Openeye Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 2-pyridin-1-ium-1-ylethanethioate CAS Name: 2-(1-pyridin-1-iumyl)ethanethioic acid S-[2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 2-pyridin-1-ium-1-ylethanethioate Traditional Name: 2-pyridin-1-ium-1-ylethanethioic acid S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] ester Formula: C22H20N3O5S2+ MolecularWeight: 470.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC(=O)C[N+]3=CC=CC=C3

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC(=O)C[N+]3=CC=CC=C3

InChI

InChI=1S/C22H19N3O5S2/c1-16(26)24-32(29,30)18-11-9-17(10-12-18)23-22(28)19-7-3-4-8-20(19)31-21(27)15-25-13-5-2-6-14-25/h2-14H,15H2,1H3,(H-,23,24,26,28)/p+1