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

Systemtic Name: methyl 3-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-8-9-16(20(25)28-3)11-18(13)21-19(24)12-22(29(4,26)27)17-7-5-6-15(10-17)14(2)23/h5-11H,12H2,1-4H3,(H,21,24)