6-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoate

Systemtic Name: 6-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoate Openeye Name: 6-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]hexanoate CAS Name: 6-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]hexanoate Traditional Name: 6-[[(3S)-1-tosylnipecotoyl]amino]hexanoate Formula: C19H27N2O5S- MolecularWeight: 395.49308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C19H28N2O5S/c1-15-8-10-17(11-9-15)27(25,26)21-13-5-6-16(14-21)19(24)20-12-4-2-3-7-18(22)23/h8-11,16H,2-7,12-14H2,1H3,(H,20,24)(H,22,23)/p-1/t16-/m0/s1