N-[(2R,3R)-2-(6-ethylsulfanylpurin-9-yl)oxan-3-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R,3R)-2-(6-ethylsulfanylpurin-9-yl)oxan-3-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(2R,3R)-2-(6-ethylsulfanylpurin-9-yl)tetrahydropyran-3-yl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R,3R)-2-[6-(ethylthio)-9-purinyl]-3-oxanyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R,3R)-2-(6-ethylsulfanylpurin-9-yl)oxan-3-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2R,3R)-2-[6-(ethylthio)purin-9-yl]tetrahydropyran-3-yl]-2-nitro-benzenesulfonamide Formula: C18H20N6O5S2 MolecularWeight: 464.5186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=NC2=C1N=CN2C3C(CCCO3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC=NC2=C1N=CN2[C@H]3[C@@H](CCCO3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5S2/c1-2-30-17-15-16(19-10-20-17)23(11-21-15)18-12(6-5-9-29-18)22-31(27,28)14-8-4-3-7-13(14)24(25)26/h3-4,7-8,10-12,18,22H,2,5-6,9H2,1H3/t12-,18-/m1/s1