(E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]octadec-9-enamide

Systemtic Name: (E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]octadec-9-enamide Openeye Name: (E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxo-pentyl]octadec-9-enamide CAS Name: (E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]-9-octadecenamide IUPAC Name: (E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]octadec-9-enamide Traditional Name: (E)-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-keto-pentyl]octadec-9-enamide Formula: C33H53N3O6S MolecularWeight: 619.85542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCC(C(=O)NO)NS(=O)(=O)C1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCCC(C(=O)NO)NS(=O)(=O)C1=CC=C(C=C1)OCC#CC

InChI

InChI=1S/C33H53N3O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32(37)34-27-20-21-31(33(38)35-39)36-43(40,41)30-25-23-29(24-26-30)42-28-6-4-2/h12-13,23-26,31,36,39H,3,5,7-11,14-22,27-28H2,1-2H3,(H,34,37)(H,35,38)/b13-12+