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

Systemtic Name: 4-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H23N3O6S/c1-11(2)20-28(26,27)15-8-9-16(17(10-15)21(24)25)19-12(3)18(23)13-4-6-14(22)7-5-13/h4-12,18-20,22-23H,1-3H3/t12-,18-/m1/s1