methyl 6-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[(1-mesitylsulfonylisonipecotoyl)amino]hexanoic acid methyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCCCC(=O)OC)C

InChI

InChI=1S/C22H34N2O5S/c1-16-14-17(2)21(18(3)15-16)30(27,28)24-12-9-19(10-13-24)22(26)23-11-7-5-6-8-20(25)29-4/h14-15,19H,5-13H2,1-4H3,(H,23,26)