N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-3-morpholinosulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-3-morpholinosulfonyl-benzamide Formula: C20H20FN3O4S2 MolecularWeight: 449.518903

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H20FN3O4S2/c21-15-6-5-14(13-18(15)30(26,27)24-9-11-28-12-10-24)20(25)22-8-7-19-23-16-3-1-2-4-17(16)29-19/h1-6,13H,7-12H2,(H,22,25)