3-methylsulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-mesyl-benzamide Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O6S/c1-25(23,24)14-4-2-3-12(9-14)16(20)17-10-15(19)11-5-7-13(8-6-11)18(21)22/h2-9,15,19H,10H2,1H3,(H,17,20)