methyl 6-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]hexanoic acid methyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCCCC(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCCCCC(=O)OC)C)C

InChI

InChI=1S/C23H36N2O5S/c1-16-15-17(2)19(4)22(18(16)3)31(28,29)25-13-10-20(11-14-25)23(27)24-12-8-6-7-9-21(26)30-5/h15,20H,6-14H2,1-5H3,(H,24,27)