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

Systemtic Name: methyl 4-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[methylsulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl(mesyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-25-18(22)15-8-10-16(11-9-15)19-17(21)13-20(26(2,23)24)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,21)