N-[1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-6-fluoranyl-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-6-fluoranyl-1-benzothiophene-2-sulfonamide Openeye Name: N-[1-[(2-cyano-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-6-fluoro-benzothiophene-2-sulfonamide CAS Name: N-[1-[(2-cyano-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-6-fluoro-1-benzothiophene-2-sulfonamide IUPAC Name: N-[1-[(2-cyanopyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-6-fluoro-1-benzothiophene-2-sulfonamide Traditional Name: N-[1-[(2-cyano-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-6-fluoro-benzothiophene-2-sulfonamide Formula: C19H15FN4O3S2 MolecularWeight: 430.475803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)F)CC4=CC(=NC=C4)C#N

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)F)CC4=CC(=NC=C4)C#N

InChI

InChI=1S/C19H15FN4O3S2/c20-14-2-1-13-8-18(28-17(13)9-14)29(26,27)23-16-4-6-24(19(16)25)11-12-3-5-22-15(7-12)10-21/h1-3,5,7-9,16,23H,4,6,11H2