dimethyl 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-tosylpiperazino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

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