2-[3-[2-[4-(3-methoxy-5-oxidanylidene-hexyl)phenyl]ethylsulfanyl]propanoylamino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[3-[2-[4-(3-methoxy-5-oxidanylidene-hexyl)phenyl]ethylsulfanyl]propanoylamino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[3-[2-[4-(3-methoxy-5-oxo-hexyl)phenyl]ethylsulfanyl]propanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[2-[4-(3-methoxy-5-oxohexyl)phenyl]ethylthio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-[2-[4-(3-methoxy-5-oxohexyl)phenyl]ethylsulfanyl]propanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[2-[4-(5-keto-3-methoxy-hexyl)phenyl]ethylthio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C22H35NO6S2 MolecularWeight: 473.6464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCC1=CC=C(C=C1)CCSCCC(=O)NC(C)(C)CS(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(CCC1=CC=C(C=C1)CCSCCC(=O)NC(C)(C)CS(=O)(=O)O)OC

InChI

InChI=1S/C22H35NO6S2/c1-17(24)15-20(29-4)10-9-18-5-7-19(8-6-18)11-13-30-14-12-21(25)23-22(2,3)16-31(26,27)28/h5-8,20H,9-16H2,1-4H3,(H,23,25)(H,26,27,28)