ethyl 4-[2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(2,6-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2,6-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(N-mesyl-2,6-dimethyl-anilino)acetyl]amino]-3-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)NC(=O)CN(C2=C(C=CC=C2C)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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