dimethyl 5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(3-methylbenzyl)sulfonylisonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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