dimethyl 2-[[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(p-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-[(4-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(4-methylbenzyl)sulfonylisonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H28N2O7S/c1-16-4-6-17(7-5-16)15-34(30,31)26-12-10-18(11-13-26)22(27)25-21-14-19(23(28)32-2)8-9-20(21)24(29)33-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,25,27)