N-(4-nitrophenyl)-2-oxidanyl-5-tetradecylsulfonyl-benzamide

Systemtic Name: N-(4-nitrophenyl)-2-oxidanyl-5-tetradecylsulfonyl-benzamide Openeye Name: 2-hydroxy-N-(4-nitrophenyl)-5-tetradecylsulfonyl-benzamide CAS Name: 2-hydroxy-N-(4-nitrophenyl)-5-tetradecylsulfonylbenzamide IUPAC Name: 2-hydroxy-N-(4-nitrophenyl)-5-tetradecylsulfonylbenzamide Traditional Name: 2-hydroxy-5-myristylsulfonyl-N-(4-nitrophenyl)benzamide Formula: C27H38N2O6S MolecularWeight: 518.66542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-36(34,35)24-18-19-26(30)25(21-24)27(31)28-22-14-16-23(17-15-22)29(32)33/h14-19,21,30H,2-13,20H2,1H3,(H,28,31)