N-[5-[(2-oxidanylidene-4-sulfanyl-pyrrolidin-1-yl)methyl]-2-phenoxy-phenyl]methanesulfonamide

Systemtic Name: N-[5-[(2-oxidanylidene-4-sulfanyl-pyrrolidin-1-yl)methyl]-2-phenoxy-phenyl]methanesulfonamide Openeye Name: N-[5-[(2-oxo-4-sulfanyl-pyrrolidin-1-yl)methyl]-2-phenoxy-phenyl]methanesulfonamide CAS Name: N-[5-[(4-mercapto-2-oxo-1-pyrrolidinyl)methyl]-2-phenoxyphenyl]methanesulfonamide IUPAC Name: N-[5-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]-2-phenoxyphenyl]methanesulfonamide Traditional Name: N-[5-[(2-keto-4-mercapto-pyrrolidino)methyl]-2-phenoxy-phenyl]methanesulfonamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)CN2CC(CC2=O)S)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)CN2CC(CC2=O)S)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S2/c1-26(22,23)19-16-9-13(11-20-12-15(25)10-18(20)21)7-8-17(16)24-14-5-3-2-4-6-14/h2-9,15,19,25H,10-12H2,1H3