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

Systemtic Name: N-(4-nitrophenyl)-5-octylsulfonyl-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-N-(4-nitrophenyl)-5-octylsulfonyl-benzamide CAS Name: 2-hydroxy-N-(4-nitrophenyl)-5-octylsulfonylbenzamide IUPAC Name: 2-hydroxy-N-(4-nitrophenyl)-5-octylsulfonylbenzamide Traditional Name: 2-hydroxy-N-(4-nitrophenyl)-5-octylsulfonyl-benzamide Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-2-3-4-5-6-7-14-30(28,29)18-12-13-20(24)19(15-18)21(25)22-16-8-10-17(11-9-16)23(26)27/h8-13,15,24H,2-7,14H2,1H3,(H,22,25)