4-fluoranyl-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[6-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[6-(2-methylolpyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F)CO

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F)CO

InChI

InChI=1S/C19H18FN3O4S2/c20-13-4-6-15(7-5-13)29(26,27)22-19-21-16-8-3-12(10-17(16)28-19)18(25)23-9-1-2-14(23)11-24/h3-8,10,14,24H,1-2,9,11H2,(H,21,22)