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

Systemtic Name: N-[(2S,3R)-1-cyclohexyl-3-[(2R)-oxan-2-yl]oxy-4-phenylselanyl-butan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S,2R)-1-(cyclohexylmethyl)-3-phenylselanyl-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2S,3R)-1-cyclohexyl-3-[[(2R)-2-oxanyl]oxy]-4-(phenylseleno)butan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2S,3R)-1-cyclohexyl-3-[(2R)-oxan-2-yl]oxy-4-phenylselanylbutan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-1-(cyclohexylmethyl)-3-(phenylseleno)-2-[(2R)-tetrahydropyran-2-yl]oxy-propyl]-2-nitro-benzenesulfonamide Formula: C27H36N2O6SSe MolecularWeight: 595.60954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C[Se]C2=CC=CC=C2)OC3CCCCO3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C[C@@H]([C@H](C[Se]C2=CC=CC=C2)O[C@@H]3CCCCO3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H36N2O6SSe/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/h2,5-8,13-16,21,23,25,27-28H,1,3-4,9-12,17-20H2/t23-,25-,27+/m0/s1