N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxo-pentyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-keto-pentyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=C(ON=C2C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=C(ON=C2C)C)C(=O)NO

InChI

InChI=1S/C21H26N4O7S/c1-4-5-13-31-16-8-10-17(11-9-16)33(29,30)25-18(20(26)23-28)7-6-12-22-21(27)19-14(2)24-32-15(19)3/h8-11,18,25,28H,6-7,12-13H2,1-3H3,(H,22,27)(H,23,26)