6-[2-[12-(2-methylpropylsulfonyl)dodecanoylamino]phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[2-[12-(2-methylpropylsulfonyl)dodecanoylamino]phenyl]sulfanylhexanoic acid Openeye Name: 6-[2-(12-isobutylsulfonyldodecanoylamino)phenyl]sulfanylhexanoic acid CAS Name: 6-[[2-[[12-(2-methylpropylsulfonyl)-1-oxododecyl]amino]phenyl]thio]hexanoic acid IUPAC Name: 6-[2-[12-(2-methylpropylsulfonyl)dodecanoylamino]phenyl]sulfanylhexanoic acid Traditional Name: 6-[[2-(12-isobutylsulfonyldodecanoylamino)phenyl]thio]hexanoic acid Formula: C28H47NO5S2 MolecularWeight: 541.80648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCCC(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCCC(=O)O

InChI

InChI=1S/C28H47NO5S2/c1-24(2)23-36(33,34)22-16-9-7-5-3-4-6-8-11-19-27(30)29-25-17-13-14-18-26(25)35-21-15-10-12-20-28(31)32/h13-14,17-18,24H,3-12,15-16,19-23H2,1-2H3,(H,29,30)(H,31,32)