2-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[methylsulfonyl(1-naphthyl)amino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[methylsulfonyl(1-naphthalenyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[mesyl(1-naphthyl)amino]acetyl]amino]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N2O5S/c1-28(26,27)22(18-12-6-8-14-7-2-3-9-15(14)18)13-19(23)21-17-11-5-4-10-16(17)20(24)25/h2-12H,13H2,1H3,(H,21,23)(H,24,25)