2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H19N3O4S2/c21-16(13-25-17-8-1-2-11-20(17)22)18-14-6-5-7-15(12-14)26(23,24)19-9-3-4-10-19/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,18,21)