methyl 6-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]hexanoate CAS Name: 6-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[(1-indan-5-ylsulfonylisonipecotoyl)amino]hexanoic acid methyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H32N2O5S/c1-29-21(25)8-3-2-4-13-23-22(26)18-11-14-24(15-12-18)30(27,28)20-10-9-17-6-5-7-19(17)16-20/h9-10,16,18H,2-8,11-15H2,1H3,(H,23,26)