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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c20-16(13-24-17-5-1-2-12-19(17)21)14-6-8-15(9-7-14)25(22,23)18-10-3-4-11-18/h1-2,5-9,12H,3-4,10-11,13H2