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

Systemtic Name: 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-phenyl-thiazole CAS Name: 4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-2-phenylthiazole IUPAC Name: 4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-2-phenyl-thiazole Formula: C20H19N3O5S2 MolecularWeight: 445.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c24-23(25)18-12-17(30(26,27)22-10-4-5-11-22)8-9-19(18)28-13-16-14-29-20(21-16)15-6-2-1-3-7-15/h1-3,6-9,12,14H,4-5,10-11,13H2