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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C

InChI

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