dimethyl 5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(4-mesylpiperazino)methyl]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C23H27N3O7S/c1-32-22(28)18-12-19(23(29)33-2)14-20(13-18)24-21(27)17-6-4-16(5-7-17)15-25-8-10-26(11-9-25)34(3,30)31/h4-7,12-14H,8-11,15H2,1-3H3,(H,24,27)