2-azanyl-2-methylsulfonyl-3-[[4-[2-(1-oxidanylhexyl)phenyl]phenyl]methyl]heptanoic acid

Systemtic Name: 2-azanyl-2-methylsulfonyl-3-[[4-[2-(1-oxidanylhexyl)phenyl]phenyl]methyl]heptanoic acid Openeye Name: 2-amino-3-[[4-[2-(1-hydroxyhexyl)phenyl]phenyl]methyl]-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-3-[[4-[2-(1-hydroxyhexyl)phenyl]phenyl]methyl]-2-methylsulfonylheptanoic acid IUPAC Name: 2-amino-3-[[4-[2-(1-hydroxyhexyl)phenyl]phenyl]methyl]-2-methylsulfonylheptanoic acid Traditional Name: 2-amino-3-[4-[2-(1-hydroxyhexyl)phenyl]benzyl]-2-mesyl-enanthic acid Formula: C27H39NO5S MolecularWeight: 489.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1C2=CC=C(C=C2)CC(CCCC)C(C(=O)O)(N)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(C1=CC=CC=C1C2=CC=C(C=C2)CC(CCCC)C(C(=O)O)(N)S(=O)(=O)C)O

InChI

InChI=1S/C27H39NO5S/c1-4-6-8-14-25(29)24-13-10-9-12-23(24)21-17-15-20(16-18-21)19-22(11-7-5-2)27(28,26(30)31)34(3,32)33/h9-10,12-13,15-18,22,25,29H,4-8,11,14,19,28H2,1-3H3,(H,30,31)