(4E)-4-[oxidanyl-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[oxidanyl-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-[4-(1-pyrrolidinylsulfonyl)phenyl]methylidene]-1-(3-pyridinylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[hydroxy-(4-pyrrolidinosulfonylphenyl)methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C25H23N3O5S2 MolecularWeight: 509.59722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5)/O

InChI

InChI=1S/C25H23N3O5S2/c29-23(18-7-9-19(10-8-18)35(32,33)27-12-1-2-13-27)21-22(20-6-4-14-34-20)28(25(31)24(21)30)16-17-5-3-11-26-15-17/h3-11,14-15,22,29H,1-2,12-13,16H2/b23-21+