ethyl 4-[2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[phenethyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-methylphenyl)sulfonyl-phenethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[phenethyl(tosyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28N2O5S/c1-3-33-26(30)22-11-13-23(14-12-22)27-25(29)19-28(18-17-21-7-5-4-6-8-21)34(31,32)24-15-9-20(2)10-16-24/h4-16H,3,17-19H2,1-2H3,(H,27,29)