N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H19FN4O3S3 MolecularWeight: 502.604663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)F

InChI

InChI=1S/C22H19FN4O3S3/c23-16-7-3-9-18-20(16)25-22(32-18)26(14-15-6-1-2-11-24-15)21(28)17-8-4-12-27(17)33(29,30)19-10-5-13-31-19/h1-3,5-7,9-11,13,17H,4,8,12,14H2