dimethyl 5-[3-(4-bromophenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-bromophenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromophenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-bromophenyl)sulfonyl-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromophenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(3-brosylpropanoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18BrNO7S MolecularWeight: 484.31772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C19H18BrNO7S/c1-27-18(23)12-9-13(19(24)28-2)11-15(10-12)21-17(22)7-8-29(25,26)16-5-3-14(20)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)