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

Systemtic Name: 2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]thiazole Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CSC(=N3)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O5S2/c21-17-6-2-1-5-16(17)20-22-14(13-30-20)12-29-19-8-7-15(11-18(19)24(25)26)31(27,28)23-9-3-4-10-23/h1-2,5-8,11,13H,3-4,9-10,12H2