ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[benzyl-(2,5-dimethylphenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(2,5-dimethylphenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(2,5-dimethylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[benzyl-(2,5-dimethylphenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H27NO4S/c1-4-30-25(27)23-14-12-22(13-15-23)18-26(17-21-8-6-5-7-9-21)31(28,29)24-16-19(2)10-11-20(24)3/h5-16H,4,17-18H2,1-3H3