[3-oxidanylidene-3-[(4-sulfooxyphenyl)amino]propyl] 5-azanyl-2,2,4,4-tetramethyl-5-oxidanylidene-pentanoate

Systemtic Name: [3-oxidanylidene-3-[(4-sulfooxyphenyl)amino]propyl] 5-azanyl-2,2,4,4-tetramethyl-5-oxidanylidene-pentanoate Openeye Name: [3-oxo-3-(4-sulfooxyanilino)propyl] 5-amino-2,2,4,4-tetramethyl-5-oxo-pentanoate CAS Name: 5-amino-2,2,4,4-tetramethyl-5-oxopentanoic acid [3-oxo-3-(4-sulfooxyanilino)propyl] ester IUPAC Name: [3-oxo-3-(4-sulfooxyanilino)propyl] 5-amino-2,2,4,4-tetramethyl-5-oxopentanoate Traditional Name: 5-amino-5-keto-2,2,4,4-tetramethyl-valeric acid [3-keto-3-(4-sulfoxyanilino)propyl] ester Formula: C18H26N2O8S MolecularWeight: 430.47264

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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)