methyl 2-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methylsulfonyl(phenethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[mesyl(phenethyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-26-19(23)16-10-6-7-11-17(16)20-18(22)14-21(27(2,24)25)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)