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

Systemtic Name: N-[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[(1S)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CO)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CC1=CC=C(C=C1)O)CO)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-17(14(11-19)10-12-2-6-15(20)7-3-12)25(23,24)16-8-4-13(5-9-16)18(21)22/h2-9,14,19-20H,10-11H2,1H3/t14-/m0/s1