ethyl 3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-6-28-21(25)17-8-7-16(4)19(12-17)22-20(24)13-23(29(5,26)27)18-10-14(2)9-15(3)11-18/h7-12H,6,13H2,1-5H3,(H,22,24)