N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]ethanediamide

Systemtic Name: N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]ethanediamide Openeye Name: N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]oxamide CAS Name: N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]oxamide IUPAC Name: N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]oxamide Traditional Name: N'-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-keto-hexyl]oxamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)C(=O)N)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)C(=O)N)C(=O)NO

InChI

InChI=1S/C18H23N3O6S/c1-2-3-12-27-13-7-9-14(10-8-13)28(26)15(17(23)21-25)6-4-5-11-20-18(24)16(19)22/h7-10,15,25H,4-6,11-12H2,1H3,(H2,19,22)(H,20,24)(H,21,23)