7-[[5-[3-(dimethylamino)phenoxy]-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-mesyl-amino]hept-5-ynoic acid Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C21H32N2O6S/c1-22(2)18-10-8-12-20(16-18)29-17-19(24)11-9-15-23(30(3,27)28)14-7-5-4-6-13-21(25)26/h8,10,12,16,19,24H,4,6,9,11,13-15,17H2,1-3H3,(H,25,26)