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

Systemtic Name: 7-[[5-(3-methylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H29NO6S/c1-17-9-7-11-19(15-17)27-16-18(22)10-8-14-21(28(2,25)26)13-6-4-3-5-12-20(23)24/h7,9,11,15,18,22H,3,5,8,10,12-14,16H2,1-2H3,(H,23,24)