(E)-azanyl-[[2-(4-tert-butylphenyl)sulfonyloxyphenyl]methylidene]-(2-phenylethanoyl)azanium

Systemtic Name: (E)-azanyl-[[2-(4-tert-butylphenyl)sulfonyloxyphenyl]methylidene]-(2-phenylethanoyl)azanium Openeye Name: (E)-amino-[[2-(4-tert-butylphenyl)sulfonyloxyphenyl]methylene]-(2-phenylacetyl)ammonium CAS Name: (E)-amino-[[2-(4-tert-butylphenyl)sulfonyloxyphenyl]methylidene]-(1-oxo-2-phenylethyl)ammonium IUPAC Name: (E)-amino-[[2-(4-tert-butylphenyl)sulfonyloxyphenyl]methylidene]-(2-phenylacetyl)azanium Traditional Name: (E)-amino-[2-(4-tert-butylphenyl)sulfonyloxybenzylidene]-(2-phenylacetyl)ammonium Formula: C25H27N2O4S+ MolecularWeight: 451.55788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=[N+](C(=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=[N+](\C(=O)CC3=CC=CC=C3)/N

InChI

InChI=1S/C25H27N2O4S/c1-25(2,3)21-13-15-22(16-14-21)32(29,30)31-23-12-8-7-11-20(23)18-27(26)24(28)17-19-9-5-4-6-10-19/h4-16,18H,17,26H2,1-3H3/q+1/b27-18+