N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloranyl-3-oxidanylidene-3-phenyl-propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloranyl-3-oxidanylidene-3-phenyl-propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloro-3-oxo-3-phenyl-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloro-3-oxo-3-phenylpropyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloro-3-oxo-3-phenylpropyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(4-tert-butylphenyl)-2-chloro-3-keto-3-phenyl-propyl]-2-nitro-benzenesulfonamide Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]([C@H](C(=O)C2=CC=CC=C2)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H25ClN2O5S/c1-25(2,3)19-15-13-17(14-16-19)23(22(26)24(29)18-9-5-4-6-10-18)27-34(32,33)21-12-8-7-11-20(21)28(30)31/h4-16,22-23,27H,1-3H3/t22-,23-/m1/s1