3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]-1H-benzimidazol-2-one Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c25-20-21-16-6-1-2-7-17(16)23(20)12-5-13-30-19-9-8-15(14-18(19)24(26)27)31(28,29)22-10-3-4-11-22/h1-2,6-9,14H,3-5,10-13H2,(H,21,25)