N-tert-butyl-4-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6S/c1-12(18(24)13-5-7-14(23)8-6-13)20-16-10-9-15(11-17(16)22(25)26)29(27,28)21-19(2,3)4/h5-12,18,20-21,23-24H,1-4H3/t12-,18-/m1/s1