dimethyl 5-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(N-methylsulfonylanilino)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(N-methylsulfonylanilino)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(N-mesylanilino)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O7S/c1-5-18(23(31(4,27)28)17-9-7-6-8-10-17)19(24)22-16-12-14(20(25)29-2)11-15(13-16)21(26)30-3/h6-13,18H,5H2,1-4H3,(H,22,24)