methyl 7-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]heptanoate CAS Name: 7-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]heptanoate Traditional Name: 7-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]enanthic acid methyl ester Formula: C24H38N2O5S MolecularWeight: 466.63392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O5S/c1-17-16-18(2)20(4)23(19(17)3)32(29,30)26-14-11-21(12-15-26)24(28)25-13-9-7-6-8-10-22(27)31-5/h16,21H,6-15H2,1-5H3,(H,25,28)