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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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