2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylethanol

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylethanol Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylethanol CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethanol IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanol Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]ethanol Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S2/c15-7-8-20-12-4-3-10(9-11(12)14(16)17)21(18,19)13-5-1-2-6-13/h3-4,9,15H,1-2,5-8H2