2-nitro-N-[(2R,3S)-2-[(2R)-oxan-2-yl]oxy-1-phenylselanyl-pentan-3-yl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[(2R,3S)-2-[(2R)-oxan-2-yl]oxy-1-phenylselanyl-pentan-3-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-1-ethyl-3-phenylselanyl-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[(2R,3S)-2-[[(2R)-2-oxanyl]oxy]-1-(phenylseleno)pentan-3-yl]benzenesulfonamide IUPAC Name: 2-nitro-N-[(2R,3S)-2-[(2R)-oxan-2-yl]oxy-1-phenylselanylpentan-3-yl]benzenesulfonamide Traditional Name: N-[(1S,2R)-1-ethyl-3-(phenylseleno)-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide Formula: C22H28N2O6SSe MolecularWeight: 527.49252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C[Se]C1=CC=CC=C1)OC2CCCCO2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H](C[Se]C1=CC=CC=C1)O[C@@H]2CCCCO2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O6SSe/c1-2-18(23-31(27,28)21-13-7-6-12-19(21)24(25)26)20(30-22-14-8-9-15-29-22)16-32-17-10-4-3-5-11-17/h3-7,10-13,18,20,22-23H,2,8-9,14-16H2,1H3/t18-,20-,22+/m0/s1