dimethyl 5-(2-naphthalen-2-ylsulfonylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-naphthalen-2-ylsulfonylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-naphthylsulfonyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2-naphthalenylsulfonyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-naphthalen-2-ylsulfonylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-naphthylsulfonyl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C22H19NO7S/c1-29-21(25)16-9-17(22(26)30-2)11-18(10-16)23-20(24)13-31(27,28)19-8-7-14-5-3-4-6-15(14)12-19/h3-12H,13H2,1-2H3,(H,23,24)