S-[1-[[3-(methylsulfonylamino)-4-phenoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[3-(methylsulfonylamino)-4-phenoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[3-(methanesulfonamido)-4-phenoxy-phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[3-(methanesulfonamido)-4-phenoxyphenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[3-(methanesulfonamido)-4-phenoxyphenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[3-(methanesulfonamido)-4-phenoxy-benzyl]pyrrolidin-3-yl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC(=C(C=C2)OC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC(=C(C=C2)OC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S2/c1-14(23)28-17-11-20(24)22(13-17)12-15-8-9-19(18(10-15)21-29(2,25)26)27-16-6-4-3-5-7-16/h3-10,17,21H,11-13H2,1-2H3