2-chloranyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide CAS Name: 2-chloro-5-nitro-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C16H18ClN5O5S MolecularWeight: 427.86262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O5S/c17-13-4-3-12(22(23)24)9-14(13)28(25,26)20-5-8-27-16-10-15(18-11-19-16)21-6-1-2-7-21/h3-4,9-11,20H,1-2,5-8H2