2-nitro-N-[(2S,3S)-3-[(2R)-oxan-2-yl]oxy-1-phenyl-4-phenylselanyl-butan-2-yl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[(2S,3S)-3-[(2R)-oxan-2-yl]oxy-1-phenyl-4-phenylselanyl-butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2S)-1-benzyl-3-phenylselanyl-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[(2S,3S)-3-[[(2R)-2-oxanyl]oxy]-1-phenyl-4-(phenylseleno)butan-2-yl]benzenesulfonamide IUPAC Name: 2-nitro-N-[(2S,3S)-3-[(2R)-oxan-2-yl]oxy-1-phenyl-4-phenylselanylbutan-2-yl]benzenesulfonamide Traditional Name: N-[(1S,2S)-1-benzyl-3-(phenylseleno)-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide Formula: C27H30N2O6SSe MolecularWeight: 589.5619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(C[Se]C2=CC=CC=C2)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCO[C@@H](C1)O[C@H](C[Se]C2=CC=CC=C2)[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O6SSe/c30-29(31)24-15-7-8-16-26(24)36(32,33)28-23(19-21-11-3-1-4-12-21)25(35-27-17-9-10-18-34-27)20-37-22-13-5-2-6-14-22/h1-8,11-16,23,25,27-28H,9-10,17-20H2/t23-,25+,27+/m0/s1