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

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-4-phenoxy-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N2O6S/c1-4-32-25(29)19-11-10-18(2)23(16-19)26-24(28)17-27(34(3,30)31)20-12-14-22(15-13-20)33-21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,26,28)