methyl 3-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[methylsulfonyl(1-naphthyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[methylsulfonyl(1-naphthalenyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[mesyl(1-naphthyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-28-21(25)16-9-5-10-17(13-16)22-20(24)14-23(29(2,26)27)19-12-6-8-15-7-3-4-11-18(15)19/h3-13H,14H2,1-2H3,(H,22,24)