2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodanyl-3-methyl-N-oxidanyl-benzamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodanyl-3-methyl-N-oxidanyl-benzamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodo-3-methyl-benzenecarbohydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-5-iodo-3-methylbenzamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-5-iodo-3-methylbenzamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodo-3-methyl-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)N(C)C2=C(C=C(C=C2C(=O)NO)I)C

Isomeric SMILES

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

InChI

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