1-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]piperidin-3-ol

Systemtic Name: 1-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]piperidin-3-ol Openeye Name: 1-[2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]piperidin-3-ol CAS Name: 1-[2-hydroxy-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-3-piperidinol IUPAC Name: 1-[2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]piperidin-3-ol Traditional Name: 1-[2-hydroxy-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]piperidin-3-ol Formula: C18H27N3O7S MolecularWeight: 429.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(CN3CCCC(C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(CN3CCCC(C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O7S/c22-14-4-3-7-19(11-14)12-15(23)13-28-18-6-5-16(10-17(18)21(24)25)29(26,27)20-8-1-2-9-20/h5-6,10,14-15,22-23H,1-4,7-9,11-13H2