7-[[5-(2-chloranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[[5-(2-chloranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[5-(2-chlorophenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[5-(2-chlorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[5-(2-chlorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[5-(2-chlorophenoxy)-4-hydroxy-pentyl]-mesyl-amino]hept-5-ynoic acid Formula: C19H26ClNO6S MolecularWeight: 431.93084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(COC1=CC=CC=C1Cl)O)CC#CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC(COC1=CC=CC=C1Cl)O)CC#CCCCC(=O)O

InChI

InChI=1S/C19H26ClNO6S/c1-28(25,26)21(13-7-3-2-4-12-19(23)24)14-8-9-16(22)15-27-18-11-6-5-10-17(18)20/h5-6,10-11,16,22H,2,4,8-9,12-15H2,1H3,(H,23,24)