4-[(4-azanylphenoxy)methyl]-2-(4-methyl-2-nitro-phenyl)-5-phenyl-1,2-oxazol-3-one; 1-(sulfinatoamino)octadecane

Systemtic Name: 4-[(4-azanylphenoxy)methyl]-2-(4-methyl-2-nitro-phenyl)-5-phenyl-1,2-oxazol-3-one; 1-(sulfinatoamino)octadecane Openeye Name: 4-[(4-aminophenoxy)methyl]-2-(4-methyl-2-nitro-phenyl)-5-phenyl-isoxazol-3-one; 1-(sulfinatoamino)octadecane CAS Name: 4-[(4-aminophenoxy)methyl]-2-(4-methyl-2-nitrophenyl)-5-phenyl-3-isoxazolone; 1-(sulfinatoamino)octadecane IUPAC Name: 4-[(4-aminophenoxy)methyl]-2-(4-methyl-2-nitrophenyl)-5-phenyl-1,2-oxazol-3-one; 1-(sulfinatoamino)octadecane Traditional Name: 4-[(4-aminophenoxy)methyl]-2-(4-methyl-2-nitro-phenyl)-5-phenyl-4-isoxazolin-3-one; 1-(sulfinatoamino)octadecane Formula: C41H57N4O7S- MolecularWeight: 749.97888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)[O-].CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)COC4=CC=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)[O-].CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)COC4=CC=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5.C18H39NO2S/c1-15-7-12-20(21(13-15)26(28)29)25-23(27)19(14-30-18-10-8-17(24)9-11-18)22(31-25)16-5-3-2-4-6-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21/h2-13H,14,24H2,1H3;19H,2-18H2,1H3,(H,20,21)/p-1