dimethyl 5-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-mesylpiperazino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C17H23N3O7S/c1-26-16(22)12-8-13(17(23)27-2)10-14(9-12)18-15(21)11-19-4-6-20(7-5-19)28(3,24)25/h8-10H,4-7,11H2,1-3H3,(H,18,21)