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

Systemtic Name: methyl 2-[2-[methyl-(4-methyl-3-methylsulfonyl-phenyl)carbonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(4-methyl-3-methylsulfonyl-benzoyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[(4-methyl-3-methylsulfonylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(4-methyl-3-methylsulfonylbenzoyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-mesyl-4-methyl-benzoyl)-methyl-amino]acetyl]amino]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)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C

InChI

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