N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzothiazin-4-yl]acetamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzothiazin-4-yl)acetamide Formula: C21H21ClFN3O4S2 MolecularWeight: 497.990543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O4S2/c22-17-9-15(23)4-3-14(17)11-24-20(27)12-26-18-10-16(5-6-19(18)31-13-21(26)28)32(29,30)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-13H2,(H,24,27)