2-(4-fluorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazole

Systemtic Name: 2-(4-fluorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazole Openeye Name: 2-(4-fluorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]thiazole CAS Name: 2-(4-fluorophenyl)-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]thiazole IUPAC Name: 2-(4-fluorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole Traditional Name: 2-(4-fluorophenyl)-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]thiazole Formula: C20H18FN3O5S2 MolecularWeight: 463.502423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CSC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CSC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O5S2/c21-15-5-3-14(4-6-15)20-22-16(13-30-20)12-29-19-8-7-17(11-18(19)24(25)26)31(27,28)23-9-1-2-10-23/h3-8,11,13H,1-2,9-10,12H2