2-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 2-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide CAS Name: 2-nitro-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 2-nitro-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c22-21(23)13-5-1-2-6-14(13)27(24,25)19-7-10-26-16-11-15(17-12-18-16)20-8-3-4-9-20/h1-2,5-6,11-12,19H,3-4,7-10H2