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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC=CC(=C2C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC=CC(=C2C)C)S(=O)(=O)C)C

InChI

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