[4-[(2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]phenyl]iminosulfamic acid

Systemtic Name: [4-[(2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]phenyl]iminosulfamic acid Openeye Name: [4-[(2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxo-pentanoyl)amino]phenyl]iminosulfamic acid CAS Name: [4-[(2-ethyl-5-methoxy-2,4,4-trimethyl-1,5-dioxopentyl)amino]phenyl]iminosulfamic acid IUPAC Name: [4-[(2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxopentanoyl)amino]phenyl]iminosulfamic acid Traditional Name: [4-[(2-ethyl-5-keto-5-methoxy-2,4,4-trimethyl-pentanoyl)amino]phenyl]iminosulfamic acid Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC)C(=O)NC1=CC=C(C=C1)N=NS(=O)(=O)O

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC)C(=O)NC1=CC=C(C=C1)N=NS(=O)(=O)O

InChI

InChI=1S/C17H25N3O6S/c1-6-17(4,11-16(2,3)15(22)26-5)14(21)18-12-7-9-13(10-8-12)19-20-27(23,24)25/h7-10H,6,11H2,1-5H3,(H,18,21)(H,23,24,25)