N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H17FN4O3S3 MolecularWeight: 452.545983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C18H17FN4O3S3/c19-12-3-5-14-15(9-12)28-18(21-14)22-16(24)11-27-17-6-4-13(10-20-17)29(25,26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,21,22,24)