[4-[3-(5-azanyl-2,2,4,4-tetramethyl-5-oxidanylidene-pentanoyl)oxypropanoylamino]phenyl] sulfate

Systemtic Name: [4-[3-(5-azanyl-2,2,4,4-tetramethyl-5-oxidanylidene-pentanoyl)oxypropanoylamino]phenyl] sulfate Openeye Name: [4-[3-(5-amino-2,2,4,4-tetramethyl-5-oxo-pentanoyl)oxypropanoylamino]phenyl] sulfate CAS Name: [4-[[3-(5-amino-2,2,4,4-tetramethyl-1,5-dioxopentoxy)-1-oxopropyl]amino]phenyl] sulfate IUPAC Name: [4-[3-(5-amino-2,2,4,4-tetramethyl-5-oxopentanoyl)oxypropanoylamino]phenyl] sulfate Traditional Name: [4-[3-(5-amino-5-keto-2,2,4,4-tetramethyl-pentanoyl)oxypropanoylamino]phenyl] sulfate Formula: C18H25N2O8S- MolecularWeight: 429.4647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C)C(=O)OCCC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-])C(=O)N

Isomeric SMILES

CC(C)(CC(C)(C)C(=O)OCCC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-])C(=O)N

InChI

InChI=1S/C18H26N2O8S/c1-17(2,15(19)22)11-18(3,4)16(23)27-10-9-14(21)20-12-5-7-13(8-6-12)28-29(24,25)26/h5-8H,9-11H2,1-4H3,(H2,19,22)(H,20,21)(H,24,25,26)/p-1