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

Systemtic Name: 5-bromanyl-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-N-oxidanyl-benzamide Openeye Name: 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzenecarbohydroxamic acid CAS Name: 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbenzamide IUPAC Name: 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbenzamide Traditional Name: 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzenecarbohydroxamic acid Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O5S/c1-4-5-6-7-8-13-30-18-9-11-19(12-10-18)31(28,29)25(3)21-16(2)14-17(23)15-20(21)22(26)24-27/h9-12,14-15,27H,4-6,13H2,1-3H3,(H,24,26)