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

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl-(2-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-2-phenoxy-anilino)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-2-phenoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2-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=CC=C2OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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