2-azanyl-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodanyl-3,4-dimethyl-N-oxidanyl-benzamide

Systemtic Name: 2-azanyl-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodanyl-3,4-dimethyl-N-oxidanyl-benzamide Openeye Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethyl-benzenecarbohydroxamic acid CAS Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-5-iodo-3,4-dimethylbenzamide IUPAC Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-5-iodo-3,4-dimethylbenzamide Traditional Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethyl-benzenecarbohydroxamic acid Formula: C19H19IN2O5S MolecularWeight: 514.33403

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2C(=O)NO)N)C)C)I

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2C(=O)NO)N)C)C)I

InChI

InChI=1S/C19H19IN2O5S/c1-4-5-10-27-13-6-8-14(9-7-13)28(25,26)18-15(19(23)22-24)17(21)12(3)11(2)16(18)20/h6-9,24H,10,21H2,1-3H3,(H,22,23)