methyl 4-chloranyl-3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-mesyl-4-phenoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H21ClN2O6S/c1-31-23(28)16-8-13-20(24)21(14-16)25-22(27)15-26(33(2,29)30)17-9-11-19(12-10-17)32-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,27)