2-(4-but-2-ynoxyphenyl)sulfanyl-N-oxidanyl-hexanediamide

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-N-oxidanyl-hexanediamide Openeye Name: 5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexanamide CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-N-hydroxyhexanediamide IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxyhexanediamide Traditional Name: 5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexanamide Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCC(=O)N)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCC(=O)N)C(=O)NO

InChI

InChI=1S/C16H20N2O4S/c1-2-3-11-22-12-7-9-13(10-8-12)23-14(16(20)18-21)5-4-6-15(17)19/h7-10,14,21H,4-6,11H2,1H3,(H2,17,19)(H,18,20)