2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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