N-[(2R)-1-bromanyl-4-(4-hydroxyphenyl)butan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-bromanyl-4-(4-hydroxyphenyl)butan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(bromomethyl)-3-(4-hydroxyphenyl)propyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-bromo-4-(4-hydroxyphenyl)butan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-bromo-4-(4-hydroxyphenyl)butan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(bromomethyl)-3-(4-hydroxyphenyl)propyl]-4-nitro-benzenesulfonamide Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CBr)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC[C@H](CBr)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17BrN2O5S/c17-11-13(4-1-12-2-7-15(20)8-3-12)18-25(23,24)16-9-5-14(6-10-16)19(21)22/h2-3,5-10,13,18,20H,1,4,11H2/t13-/m1/s1