2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]sulfanyl-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]sulfanyl-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]sulfanyl-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]sulfanyl-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-hydroxy-3,5-dimethylol-phenyl)thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=CC(=C(C(=C2)CO)O)CO

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=CC(=C(C(=C2)CO)O)CO

InChI

InChI=1S/C17H18N2O6S/c1-18(13-2-4-14(5-3-13)19(24)25)16(22)10-26-15-6-11(8-20)17(23)12(7-15)9-21/h2-7,20-21,23H,8-10H2,1H3