methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoyl]amino]hexanoate CAS Name: 6-[[[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate Traditional Name: 6-[[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoyl]amino]hexanoic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCCC(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCCC(=O)OC)C

InChI

InChI=1S/C21H32N2O5S/c1-16-13-17(2)15-23(14-16)29(26,27)19-10-8-18(9-11-19)21(25)22-12-6-4-5-7-20(24)28-3/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,22,25)/t16-,17-/m1/s1