4-bromanyl-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzamide Openeye Name: 4-bromo-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxo-pentyl]benzamide CAS Name: 4-bromo-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]benzamide IUPAC Name: 4-bromo-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]benzamide Traditional Name: 4-bromo-N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-keto-pentyl]benzamide Formula: C22H24BrN3O6S MolecularWeight: 538.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=CC=C(C=C2)Br)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=CC=C(C=C2)Br)C(=O)NO

InChI

InChI=1S/C22H24BrN3O6S/c1-2-3-15-32-18-10-12-19(13-11-18)33(30,31)26-20(22(28)25-29)5-4-14-24-21(27)16-6-8-17(23)9-7-16/h6-13,20,26,29H,4-5,14-15H2,1H3,(H,24,27)(H,25,28)