N-[5-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[5-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[5-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]thiazol-2-yl]acetamide CAS Name: N-[5-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-2-thiazolyl]acetamide IUPAC Name: N-[5-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-[5-[4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]thiazol-2-yl]acetamide Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC=C(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S2/c1-14(26)23-21-22-13-20(32-21)15-4-6-16(7-5-15)31-19-9-8-17(12-18(19)25(27)28)33(29,30)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23,26)