[(E)-1-diphenylphosphorylpropan-2-ylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-diphenylphosphorylpropan-2-ylideneamino] 4-methylbenzenesulfonate Openeye Name: [(E)-(2-diphenylphosphoryl-1-methyl-ethylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-diphenylphosphorylpropan-2-ylideneamino] ester IUPAC Name: [(E)-1-diphenylphosphorylpropan-2-ylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(2-diphenylphosphoryl-1-methyl-ethylidene)amino] ester Formula: C22H22NO4PS MolecularWeight: 427.453141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C)/CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22NO4PS/c1-18-13-15-22(16-14-18)29(25,26)27-23-19(2)17-28(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3/b23-19+