ethyl 4-methyl-3-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H28N2O6S/c1-4-33-26(30)21-11-10-19(2)24(16-21)27-25(29)17-28(35(3,31)32)22-12-14-23(15-13-22)34-18-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3,(H,27,29)